Psilocybin Derivative Crystals for Accurate API Characterization
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Solution Overview
Problem
There is a need to obtain and characterize crystalline forms of active pharmaceutical ingredients (APIs) such as tryptamines and other psychedelic drug compounds to improve chemical and physical properties, and to avoid inaccuracies in molecular weight calculations that affect dosing and potency.
Innovation Solution
The development of crystalline forms of 5-[(3-{2-[bis(propan-2-yl)azaniumyl]ethyl}-1H-indol-4-yl)oxy]-5-oxopentanoate, including solvates like 4-glutarato-N,N-diisopropyltryptamine methanol solvate (4-glutarato-DiPT·MeOH) and ethanol solvate (4-glutarato-N,N-DiPT·EtOH), characterized by specific X-ray powder diffraction patterns and space groups, and their use in pharmaceutical compositions with excipients and other compounds.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If crystalline forms of APIs are obtained and characterized, then chemical and physical properties are improved and molecular weight accuracy is enhanced, but the complexity of characterization and processing increases
Solution Approach 1:
The patent applies parameter changes by transforming the API from an amorphous state to a crystalline state, which fundamentally alters the physical and chemical parameters of the substance. This phase transition enables precise molecular weight determination through crystal structure characterization using X-ray diffraction techniques, resolving the contradiction between measurement precision improvement and characterization complexity by establishing a standardized crystalline form with defined unit cell parameters and space group symmetry.
Solution Approach 2:
The patent employs composite material principles by creating a crystalline API formulation that integrates the active pharmaceutical ingredient with a structured lattice framework. The crystalline form acts as a composite structure where the API molecules are organized in a repeating pattern within unit cells, allowing for precise molecular weight calculation through the relationship between unit cell mass and crystal density, thereby improving measurement precision while providing a systematic approach to characterization.
2Reliability
If crystalline forms are used instead of amorphous state, then pharmaceutical and pharmacological properties are improved, but processing difficulty increases
Solution Approach 1:
The patent applies preliminary action by pre-establishing the crystalline form of the API before pharmaceutical manufacturing and administration. The crystal structure is characterized and standardized in advance, with unit cell parameters, space group, and molecular arrangement fully determined. This preliminary characterization creates a reliable reference framework that simplifies subsequent manufacturing processes, quality control, and dosing calculations, thereby improving pharmaceutical reliability without significantly increasing processing difficulty.
Applied Scientific Principles
This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.
Function Achieved in This Case
The crystalline forms provide improved characterization and accuracy in molecular weight, enabling effective treatment of psychological disorders, neurological disorders, inflammation, and pain, while modulating MAPK activity and neurogenesis.
Implementation Method 1
an x-ray powder diffraction (XRPD) pattern substantially similar to FIG. 3; and an X-ray powder diffraction pattern characterized by peaks at 8.3, 11.1, and 15.1° 2θ±0.2° 2θ
Implementation Method 2
an x-ray powder diffraction (XRPD) pattern substantially similar to FIG. 3; and an X-ray powder diffraction pattern characterized by peaks at 8.3, 11.1, and 15.1° 2θ±0.2° 2θ
Data Source
AI summary
The disclosure relates to forms of 5-[(3-{2-[bis(propan-2-yl)azaniumyl]ethyl}-1H-indol-4-yl)oxy]-5-oxopentanoate, including solvates such as methanol 5-[(3-{2-[bis(propan-2-yl)azaniumyl]ethyl}-1H-indol-4-yl)oxy]-5-oxopentanoate (also referred to as 4-glutarato-N,N-diisopropyltryptamine methanol solvate or 4-glutarato-DiPT-MeOH), and crystalline forms thereof such as crystalline form 1 of 4-glutarato-DiPT-MeOH and ethanol 5-[(3-{2-[bis(propan-2-yl)azaniumyl]ethyl}-1H-indol-4-yl)oxy]-5-oxopentanoate (4-glutarato-N,N-diisopropyltryptamine ethanol solvate or 4-glutarato-N,N-DiPT-EtOH), crystalline 4-glutarato-N,N-DiPT-EtOH, and crystalline forms thereof, including crystalline form 1 of 4-glutarato-N,N-DiPT-EtOH; and to pharmaceutical compositions containing them and to methods of treatment using them. The disclosure further relates to crystalline [3-[2-(methylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate (baeocystin), such as crystalline form 1 of baeocystin, and to pharmaceutical compositions containing crystalline baeocystin, such as crystalline form 1 of baeocystin, and to methods of treatment using it.