37 results about "Single Crystal Diffraction" patented technology

The invention relates to the technical field of electrocatalysis development, in particular to a Co-based two-dimensional coordination polymer electrocatalyst and a preparation method and application thereof. The chemical formula of the Co-based two-dimensional coordination polymer electrocatalyst is {[Co3 (H2O) 4 (5-CMOIA) 2]. 10H2O} n, an X-ray single crystal diffraction test shows that the coordination polymer belongs to a triclinic system and a P-1 space group, and the minimum asymmetric unit of the coordination polymer contains three Co (II) ions, two deprotonated (5-CMOIA) 3-ligands, four coordination water molecules and ten crystal water molecules. The Co-based two-dimensional coordination polymer has relatively high specific surface area and rich active sites, is good in dispersity in a solution, and can be applied to the field of electrocatalysis.

The invention discloses a preparation method of four new skeleton alkaloid compounds with anti-inflammatory effect in the root of Anachymin and the use of the anti-inflammatory activity thereof. The four new skeleton alkaloid compounds are extracted from the root (root of Anachymin) of Roman pyrethrum (Anacyclus pyrethrum (L.) DC.) by using an organic solvent, and then separated by two or three methods of normal phase silica gel column chromatography, reverse phase silica gel column chromatography and semi-preparative high performance liquid chromatography to obtain eight new skeleton alkaloid monomer compounds, and the structures thereof are identified by high-resolution mass spectrometry, nuclear magnetic resonance spectroscopy and X-ray single crystal diffraction. The invention also provides the NO inhibition effect of these compounds.

The invention discloses a polycyclic polyisopentenyl phloroglucinol compound as well as a preparation method and application thereof, and belongs to the technical field of biological medicines. The method comprises the following steps: by taking a dry overground part of hypericum monogynum as a raw material, performing percolation extraction and concentration to obtain an extract, suspending the extract in water to obtain a suspension, and performing extraction and concentration to obtain a petroleum ether part extract; the extract is taken and subjected to separation through a positive and negative phase silica gel column, MCI medium-pressure column chromatography and Sephadex LH-20 gel column chromatography and purification through high performance liquid chromatography, the polycyclic polyisopentenyl phloroglucinol compound is prepared, and the structure and configuration of the compound are determined by means of a spectrum analysis technology, quantum chemistry calculation, X-ray single crystal diffraction and the like. The compound can inhibit TNF-alpha protein to play an immunosuppressive role, and can be used as an immunosuppressive drug.

Cell parameters of the crystal compound are as follows: diffraction data are collected in an omega-theta scanning mode by using MoK alpha rays monochromatized by a graphite monochromator on an Oxford X-ray single crystal diffractometer at the temperature of 273 k, and the crystal compound is characterized in that the crystal belongs to a triclinic system, P-1; the cell parameters are as follows: alpha is equal to 79.857 (3) degrees; beta is equal to 87.082 (3) degrees; gamma is equal to 87.829 (3) degrees; the synthesis method of the crystal chlorine compound (I) comprises the following steps: weighing 0.02 35 g of benzophenone hydrazone and 0.6720 g of 1.0 g of 7-chloroisatin and acetic acid ketone monohydrate complex, putting into a 150mL flask, adding 100.0 mL of chlorobenzene as a solvent, stirring at room temperature for 48 hours, carrying out column chromatography separation, eluting with petroleum ether / dichloromethane (1 / 1), and carrying out vacuum drying to obtain the crystal chlorine compound (I). And naturally volatilizing the collected front component points to obtain the target crystal compound I, namely the 6-bromo-3-diphenylmethylene indoline-2-ketone crystal. The application of the crystal chlorine compound (I) is that the crystal chlorine compound (I) has a relatively strong inhibition effect on epidermophyton flocculent, and the IC50 value of the crystal chlorine compound (I) is 0.063 + / -0.008.

This invention provides a crystallization plate suitable for in-situ X-ray diffraction of biomolecules, comprising: a body and multiple crystallization units formed within the body; each crystallization unit includes a through-hole and a frustum-shaped sample slot support within the through-hole; the lower bottom surface of the frustum-shaped sample slot support is connected to the lower bottom surface of the through-hole, and the upper bottom surface of the frustum-shaped sample slot support is located between the upper top surface and the lower bottom surface of the through-hole; the side surface of the frustum-shaped sample slot support and the side surface of the through-hole form a crystallization buffer bath. The crystallization plate of this invention is applicable to in-situ testing of biomolecular crystals, and features simple operation, good compatibility, high efficiency, and low cost. It can greatly facilitate the rapid collection of single-crystal diffraction data or drug screening at synchrotron radiation crystallography beamlines under room temperature in-situ conditions.

The application relates to the technical field of plant chemistry and active ingredient heterocyclic compounds of traditional Chinese medicine, and discloses a C17 sesquiterpene alkaloid, a preparation method and application, wherein the C17 sesquiterpene alkaloid and a pharmaceutically acceptable salt thereof are shown as formula I; the C17 sesquiterpene alkaloid of formula I is separated from an ethanol extract n-butanol extraction phase of Dendrobium huoshanense stems through three-step operations of silica gel column chromatography, acid solution and base precipitation and recrystallization; the structure of the compound is determined through nuclear magnetic resonance, high-resolution mass spectrometry and single crystal diffraction analysis; experiments show that the C17 sesquiterpene alkaloid can effectively inhibit the survival and proliferation of A549 lung cancer cells, has good anti-lung cancer activity, and can be used for preparing anti-lung cancer drugs.

The invention discloses a pentacyclic triterpene acylhydrazone compound as well as a preparation method and application thereof. A series of oleanolic acid derivatives are synthesized by carrying out structural modification on carboxyl at C28 site of oleanolic acid, structural confirmation is carried out by using 1H NMR, 13C NMR, HRMS and X-ray single crystal diffraction, and the inhibition effect of the pentacyclic triterpenoid acylhydrazone compound on the activity of tumor cells A549, AGS and K562 is evaluated by taking cis-platinum as positive control and adopting a CCK-8 method. Results show that the inhibition effect of the derivatives 5, 6, 9, 10, 16, 21, 27 and 28 on tumor cells is superior to that of cis-platinum. Reference is provided for research of oleanolic acid derivatives and discovery of anti-tumor seedling compounds.

The application relates to the structural composition of a [2+2] photocycloaddition polymer and a preparation method thereof, and relates to the technical field of functional materials. The polymer introduces a closed dodecaborane anion, two polymers are prepared by the application, and the two polymers can both undergo [2+2] cycloaddition under the irradiation of ultraviolet light. The [2+2] cycloaddition of the polymer is verified by nuclear magnetic resonance hydrogen spectrum, single crystal X-ray diffraction spectrum, powder single crystal X-diffraction spectrum, infrared spectrum and the like. The application shows the great potential of a supramolecular organic framework material based on B 12 H 12 2‑ in the field of topological chemistry, and lays a solid foundation for the in-depth research in the field in the future.

The invention discloses a chain-shaped silver complex as well as a preparation method and application thereof. The invention relates to a synthesis method of a chain-like silver complex, which comprises the following steps: carrying out condensation reaction on pyridoxal and p-methylbenzenesulfonyl hydrazide to generate a pyridoxal condensed p-methylbenzenesulfonyl hydrazide ligand, reacting the ligand with silver nitrate, slowly volatilizing the reaction liquid for 3-5 days, and separating out a yellow crystal of the chain-like silver complex. The crystal is subjected to structural analysis by adopting an X-ray single crystal diffraction technology, and the result shows that the crystal is a novel chain-shaped coordination polymer. The chain-shaped silver complex shows remarkable antibacterial activity on staphylococcus aureus, pseudomonas aeruginosa, methicillin-resistant staphylococcus aureus and multi-drug-resistant pseudomonas aeruginosa, and the in-vitro antibacterial effect of the chain-shaped silver complex is superior to that of silver nitrate, a ligand and a methicillin monomer; the application potential of the compound serving as an efficient antibacterial agent in the aspect of replacing or supplementing existing anti-infection drugs is shown. The structure of a pharmaceutically acceptable compound of the chain-shaped silver complex is shown as a formula (I) in the specification.

The utility model relates to a sample holder for a micro-area variable-angle grazing incidence wide-angle scattering test. According to the scheme, a table top used for placing a test material, a Z-axis height reference position and a height adjusting driver used for driving the sample frame to move back and forth along a Z axis are arranged on the sample frame; the radian adjusting driver is used for driving the sample holder to do curve swinging motion along the light path direction and in the direction perpendicular to the light path; the connecting part is matched with a sample table of the single crystal diffractometer; wherein the radian adjusting driver is used for driving the table board to swing, so that the incident angle is controlled. The defects of an existing wide-angle scattering test technology based on single crystal XRD in the aspect of incident angle and height control can be overcome.

The invention provides a method for asymmetric organic catalytic synthesis of spiro [indole-3, 4-b] pyridine. The invention discloses a method for preparing an optically active spiro [indole-3, 4 '-pyrrole [3, 4-b] pyridine] derivative, which comprises the following steps of: mixing substituted isatin with a structure as shown in a formula 2, cyanoacetate with a structure as shown in a formula 3, 3-aminomaleimide with a structure as shown in a formula 4, chiral cinchona alkali and a Takemoto type catalyst in an organic solvent, and reacting to obtain the optically active spiro [indole-3, 4'-pyrrole [3, 4-b] pyridine] derivative with a structure as shown in a formula 5. The invention relates to a 1, 4-b] pyridine] derivative. According to the method, the high-optical-purity spiro [indole-3, 4 '-pyrrole [3, 4-b] pyridine] derivative can be obtained, the maximum enantiomeric excess value of the derivative reaches 99%, the yield is good (74%-91%), and it is determined that the absolute configuration of a target compound is S through an X-single crystal diffraction experiment.

The invention discloses a preparation method of a thiosemicarbazone binuclear gallium coordination compound, which is mild in condition and easy to operate, and comprises the following steps: firstly, carrying out condensation reaction on a thiosemicarbazone compound and 2-methyl-1, 3-cyclohexanedione to generate a thiosemicarbazone product; and oxidizing reactive hydrogen, adding a gallium nitrate solution to generate a thiosemicarbazone binuclear gallium coordination compound, and determining the thiosemicarbazone binuclear gallium coordination compound as the metal organic MOFs material through an X-ray single crystal diffraction method and a powder X-ray diffraction (PXRD) test.

The application discloses a kind of isoprenylated phenolic acid Drupanin, single crystal and its separation and purification method and application.The application adopts the combined purification process of dynamic axial column chromatography and preparative chromatography, realizes the efficient enrichment and accurate separation of Drupanin component in propolis;And for the first time, the complete three-dimensional spatial structure of Drupanin is determined by X-ray single crystal diffraction technology;Through in-vitro and in-vivo animal experiments, it is proved that the Drupanin prepared by the application can significantly improve neuroinflammation, oxidative stress and lipid metabolism disorder, and can effectively repair cognitive dysfunction, relieve depression and anxiety symptoms, has the advantages of multi-target, low side effect and significant efficacy, can be widely used in improving cognitive impairment, preventing or treating depression, anxiety and other nervous system diseases Functional products and innovative drug research and development, and has good clinical application value.

The invention discloses a piperine-based pseudo-natural dimer amide alkaloid compound 1 and a piperine-based pseudo-natural dimer amide alkaloid compound 2 as well as a preparation method and medical application thereof. Dimerization of piperine is realized through a visible light catalytic reaction system Ir (ppy) 3 / 465nm LED, and optically pure enantiomers 1a / 1b and 2a / 2b are obtained through acetonitrile-water system preparative HPLC separation and purification in combination with a chiral chromatographic resolution technology. HRESIMS, multi-dimensional NMR and X-single crystal diffraction confirm that the structure of the compound has a unique cyclohexene skeleton and a bis-piperidyl structure. A biological activity research shows that the target compound has a remarkable inhibition effect on LPS-induced RAW264.7 macrophage NO release, the compound 1 shows an excellent curative effect in an imiquimod-induced psoriasis mouse model, and the effect of the compound 1 is superior to that of a positive drug benvitimod. The invention provides a green and efficient photocatalytic synthesis method, and the obtained compound provides candidate molecules for developing multi-target anti-psoriasis drugs.

The present invention discloses Monovir Form VII and a preparation method thereof, and belongs to the field of compound crystal forms. The X-ray powder diffraction spectrum of Monovir Form VII measured using Cu-Kα rays is shown in Figure 1. The Monovir Form VII is prepared by adding isobutanol to Monovir, dissolving it, and then using a cooling crystallization method or a solvent evaporation method to obtain Monovir Form VII crystals. The preparation process is simple, and the obtained crystal form has high purity. It is determined to be a new crystal form, Form VII, through the characterization of XRPD, X-ray single crystal diffraction, DSC, and TG.

The present invention discloses a polycyclic polyisopentenyl phloroglucinol compound and its preparation method and application, belonging to the field of biomedicine technology. The dried aerial part of Hypericum perforatum is used as raw material, and an extract is obtained after diafiltration extraction and concentration, and the extract is suspended in water to obtain a suspension, and a petroleum ether extract is obtained after extraction and concentration; the extract is taken and subjected to positive and reverse phase silica gel column, MCI medium pressure column chromatography, Sephadex LH-20 gel column chromatography separation and high performance liquid chromatography purification to obtain a polycyclic polyisopentenyl phloroglucinol compound, and the structure and configuration of the compound are determined by means of spectral analysis technology, quantum chemical calculation and X-ray single crystal diffraction. This type of compound can inhibit TNF-α protein from exerting an immunosuppressive effect and has the use as an immunosuppressive drug.

This invention provides an X-ray single-crystal diffraction sample sealing device and its usage method. The X-ray single-crystal diffraction sample sealing device includes a base, a sampling tube, and a sealing valve. The base has a chamber extending through its bottom. The sampling tube is airtightly connected to the top wall of the chamber, and its bottom end communicates with the top end of the chamber. The sealing valve is threaded into the chamber and has an internal channel connecting the top and bottom ends of the chamber. A sealing element is provided between the top surface of the sealing valve and the top wall of the chamber, and the sealing element cooperates with the sealing valve to seal the bottom end of the sampling tube. Compared with the prior art, this invention can achieve sealed transfer of air-sensitive samples and has the advantages of simple operation and reusability.

The invention belongs to the technical field of phytochemistry, and particularly relates to gemmarane type sesquiterpene as well as a preparation method and application thereof. The gemmarane type sesquiterpenoids disclosed by the invention are prepared from a fermentation solution of an endophytic fungus Aspergillus aculeatus Aa-1 (Aspergillus aculeatus Aa-1) derived from enteromorpha prolifera, and the gemmarane type sesquiterpenoids disclosed by the invention are prepared from the fermentation solution of the endophytic fungus Aspergillus aculeatus Aa-1 (Aspergillus aculeatus Aa-1) derived from the enteromorpha prolifera. According to the present invention, through the modern spectroscopy technology, such as high resolution mass spectrum HRESIMS, superconductive nuclear magnetic resonance spectrum NMR and X-ray single crystal diffraction technology, the gemmarane type sesquiterpene with the new structure is named as asperiunoid A. The invention further discloses a preparation method of the gemmarane type sesquiterpene with the new structure, the gemmarane type sesquiterpene asperiunoid A with the new structure has relatively good inhibitory activity on retinoblastoma HXO-Rb44 and human gastric cancer cells MKN-45, and a new lead compound entity is provided for research and development of anti-tumor drugs.

The invention provides a method for synthesizing an R-10-hydroxy-10-(1H-indole-3)-9-phenanthrene ketone compound, which comprises the following steps: mixing a 9, 10-phenanthrene quinone compound as shown in a formula 2, an indole compound as shown in a formula 3 and a chiral catalyst in an organic solvent, and reacting to obtain the R-10-hydroxy-10-(1H-indole-3)-9-phenanthrene ketone compound as shown in a formula 4. According to the method, the main product, namely the R-10-hydroxy-10-(1H-indole-3-)-9-phenanthrone compound, can be obtained, the enantiomeric excess value of the R-10-hydroxy-10-(1H-indole-3-)-9-phenanthrone compound is up to 97%, the yield is good (75%-95%), and the absolute configuration of the target compound is determined to be R through an X-single crystal diffraction experiment. Cell experiments find that a series of synthesized compounds have good anti-tumor activity, and a basis is provided for research of chiral drugs.

The application discloses a vortioxetine impurity, a preparation method and application thereof, and adopts vortioxetine or a pharmaceutically acceptable salt form thereof as raw material, the raw material is easy to obtain and simple to operate, and the reaction condition is mild. The synthesized impurity is characterized by nuclear magnetic resonance, high-resolution mass spectrometry and X-ray single crystal diffraction, and liver toxicity research shows that the compound disclosed by the application has important significance for researching adverse reactions of vortioxetine. The control sample obtained by the method provided by the application can be used for qualitative and quantitative analysis of the vortioxetine impurity, so that the drug safety of vortioxetine is improved.

The invention belongs to the technical field of organic chemistry, and particularly relates to a preparation method of a photocatalytic polysubstituted indole compound. The structure of the compound is characterized and confirmed by methods such as < 1 > H NMR, < 13 > C NMR, HRMS, single crystal X diffraction and the like. According to the method, tetrabutylammonium decatungstate (TBADT) is used as a catalyst in an organic solvent, in the presence of protonic acid, 2-indolyl methanol is subjected to dearomatization to form an imine cation intermediate, then the imine cation intermediate reacts with alkyl free radicals generated by alkane through hydrogen atom transfer (HAT) under the catalysis of TBADT, and the 2, 3-dialkyl substituted indole compound I is obtained through isomerization. The method is simple and efficient in reaction, few in side reaction, high in product purity and convenient to separate and purify; conditions are mild, and the application range of a substrate is wide; the raw materials are simple and easy to obtain, the cost is low, and the method can be suitable for large-scale preparation and has a very good application prospect.

The application provides a method for synthesizing an R-10-hydroxy-10-(1H-indol-3-)-9-phenanthrenone compound, which comprises the following steps: mixing a 9,10-phenanthrenequinone compound shown in formula 2, an indole compound shown in formula 3 and a chiral catalyst in an organic solvent, and performing reaction to obtain an R-10-hydroxy-10-(1H-indol-3-)-9-phenanthrenone compound shown in formula 4. The application can obtain the R-10-hydroxy-10-(1H-indol-3-)-9-phenanthrenone compound as a main product, the enantiomeric excess value of which is up to 97%, the yield is good (75%-95%), and the absolute configuration of the target compound is determined as R through X-single crystal diffraction experiment. It is found through cell experiment that a series of synthesized compounds have good antitumor activity, and the application provides a basis for the research of chiral drugs.

The invention provides a dextro-amphetamine sulfate single crystal, an enantiomer single crystal thereof, a preparation method and application, and belongs to the technical field of medicines. The preparation method comprises the following steps: (1) dissolving dextro-amphetamine sulfate or dextro-amphetamine sulfate enantiomer levo-amphetamine sulfate in an organic solvent, filtering, and sealing filtrate in a container; and (2) opening a hole in a container for sealing the filtrate, putting the container into another container filled with a poor solvent, sealing, and culturing in a dark place to obtain the dextro-amphetamine sulfate single crystal or the dextro-amphetamine sulfate enantiomer single crystal. The preparation method is simple and efficient, the obtained dextro-amphetamine sulfate single crystal and the enantiomer single crystal thereof are good in stability, particles in the single crystal are uniformly distributed, the dextro-amphetamine sulfate single crystal and the enantiomer single crystal thereof can be used as samples for X-ray single crystal diffraction detection, absolute configurations of the dextro-amphetamine sulfate and the enantiomer single crystal thereof are determined, and the application prospect is wide. The method is used for quality control of dextro-amphetamine sulfate.

The invention relates to a synthetic method of an azabicyclo [3.2. 1] octyl-2-ene derivative, and belongs to the technical field of organic synthesis. The synthetic method of the azabicyclo [3.2. 1] octyl-2-ene derivative comprises the following steps: S1, in an inert atmosphere and at a low temperature, carrying out an addition reaction on N-Boc-nortropinone as a raw material and an aryl lithium reagent to obtain an intermediate IM1; s2, removing a Boc protecting group under an acidic condition to obtain an intermediate IM2; and S3, salifying the intermediate IM2 and chiral mandelic acid, performing fractional crystallization and alkali dissociation to obtain a target enantiomer with high optical purity, culturing an S-mandelate single crystal of a compound (1S, 5R)-(+)-3-(4-chlorphenyl)-8-azabicyclo [3.2. 1] oct-2-ene, and determining the absolute configuration of the compound through single crystal diffraction. The synthesis method disclosed by the invention has the characteristics of simple reaction operation in each step, mild conditions, high yield, good repeatability and suitability for industrial large-scale production.

The present invention belongs to the technical field of fluorescent crystal materials, and discloses a manganese-based pyridine fluorescent crystal material, a preparation method and an application. At room temperature, MnCl2·4H2O, 2-dimethylaminopyridine, and 4-dimethylaminopyridine are used as raw materials, and water, methanol, acetonitrile, etc. are used as solvents; the solvent evaporation method is adopted to synthesize 4 examples of manganese-based pyridine organic-inorganic hybrid compounds; the properties of compounds 1-4 are systematically detected by methods such as infrared testing, X-single crystal diffraction, thermogravimetric analysis, dielectric testing, and fluorescence testing. Compounds 1-3 all belong to the monoclinic system, and the space group is C2 / c. Compounds 2-4 all belong to the triclinic system, and the space group is P-1. Compounds 1-4 all start to decompose at about 376K, proving to have good thermal stability. In the temperature-rising dielectric test, compounds 1-4 start to show dielectric anomalies at 220K, 220K, 220K, and 237K respectively.

The invention relates to a single-energy X-ray radiation device based on Si single crystal diffraction and a generation method, belongs to the technical field of space optics, and solves the technical problems that an existing single-energy radiation source is single in energy point and complex in device structure. The single-energy X-ray radiation device comprises an X-ray source, a first slit regulator, a second slit regulator, a third slit regulator, a fourth slit regulator, an X-ray detector, a lower rotary table, an upper rotary table, a sample placing table, an X-ray source guide rail, a detector guide rail, an optical platform, a Si single crystal, an X-ray source placing table, an expansion table and a support. The single-energy X-ray generation method comprises the steps of installing the Si single crystal, setting the angle range and the rotation step length of the lower rotary table and the upper rotary table, and testing the X-ray energy spectrum. The device is used for generating single-energy X-rays and calibrating the X-ray detector on the ground.

The application discloses application of a pyrazole ring trinuclear silver (I) complex in organic molecular structure determination, in particular, application of a 3,5-bistrifluoromethyl pyrazole ring trinuclear silver (I) complex in organic molecular structure determination, and specifically comprises the following steps: synthesizing the pyrazole ring trinuclear silver (I) complex; mixing the pyrazole ring trinuclear silver (I) complex with a sample to be measured, obtaining a co-crystal of the pyrazole ring trinuclear silver (I) complex and the organic molecule to be measured and performing single crystal diffraction analysis, collecting crystal data of the co-crystal; analyzing the crystal structure according to diffraction data of the co-crystal, so as to obtain a chemical structure and a stereo configuration of the organic molecule to be measured. The application can be used for molecular structure determination of a series of non-crystalline compounds and mixture samples.

The present invention relates to an integrated data collaborative acquisition method, device and readable storage medium for small-angle scattering and wide-angle scattering based on a single-crystal diffractometer. The method realizes vertical fixation of the sample and high-precision control of the incident angle by designing two improved sample holders (the first sample holder is for the grazing incidence mode, and the second sample holder is for the transmission mode) to replace the magnetic head structure of the original single-crystal diffractometer. The first sample holder adopts a structure of "fixed plate + vertical backrest + groove" to fix the sample through a rigid connecting piece; the second sample holder adopts a back plate with a detection hole to support the fixation of the substrate-free film. The present invention breaks through the limitation of the traditional test range, eliminates the signal splicing error, realizes the full-dimensional characterization of the material structure, and is applicable to the depth gradient analysis of thin films, free films and bulk samples.

The present application relates to the field of catalysis technology, and particularly relates to a Co(II) based photoelectrode crystalline material, a preparation method and application thereof.The present application provides a Co(II) based photoelectrode crystalline material, a preparation method and application thereof, and a new type of cobalt-based metal hydrogen bond organic framework material is successfully prepared by using H3(5-COTDA) as an organic connecting unit through a solvothermal method.The crystal structure and phase purity of the compound are systematically analyzed and confirmed through X-ray single crystal diffraction, Fourier transform infrared spectroscopy and powder X-ray diffraction and other characterization methods.The photoelectric performance test results show that the Co(II) based photoelectrode crystalline material presents a typical n-type semiconductor behavior and exhibits good photoelectric catalytic activity.

The invention discloses a rhein-nitrogen mustard compound which is analyzed by X-ray single crystal diffraction, infrared spectrum, high-resolution mass spectrum and nuclear magnetic resonance spectrum structure and is a compound shown as a structural formula (I). Accordingly, the inventor also establishes a corresponding preparation method, namely the rhein is used as a main raw material and is subjected to esterification, acylation and hydrolysis reactions according to a reaction formula. In-vitro anticancer activity research shows that the rhein-nitrogen mustard compound has certain inhibitory activity and in-vitro anticancer activity on human lung cancer cells, human liver cancer cells, human breast cancer cells and human oral cancer cells, and has potential application value in research and development of anticancer drugs for human lung cancer, human liver cancer, human breast cancer and human oral cancer. In conclusion, the rhein-nitrogen mustard compound is good in anti-cancer activity, low in cost and simple in preparation method, and a new way is provided for developing new anti-cancer drugs.