Src Inhibitor Compounds for Cancer Treatment
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Solution Overview
Problem
Current treatments for diseases mediated by Src protein, such as various cancers, lack effective compounds that specifically target and inhibit Src activity.
Innovation Solution
Development of a compound with the general formula (1) or its isomers, crystalline forms, pharmaceutically acceptable salts, hydrates, or solvates, which exhibit inhibitory effects on Src protein.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If current treatments are used for Src-mediated diseases, then existing therapeutic options are available, but effective inhibition of Src activity is not achieved
Solution Approach 1:
The patent applies parameter changes by systematically varying chemical structures within formula (1) to optimize Src inhibition efficacy. Different substituents (R1-R9, X1-X2, Y1-Y2) and linkers (L1-L2) are modified to achieve desired biological activity, transforming the molecular parameters to resolve the contradiction between availability and efficacy.
2Reliability
If a new compound with specific chemical structure is developed, then Src inhibition activity is achieved, but synthesis complexity increases
Solution Approach 1:
The compound of formula (1) is segmented into distinct functional modules: a core structure with substituents R1-R9, linkers L1-L2, and variable groups X1-X2, Y1-Y2. This segmentation allows independent optimization of each module for Src binding while simplifying the overall synthesis strategy through modular assembly of pre-prepared building blocks.
Solution Approach 2:
The core structure of formula (1) serves multiple functions: it provides the scaffold for Src interaction, accommodates various substituents to tune activity, and enables diverse linker configurations. This multi-functionality reduces the need for completely different molecular frameworks, thereby managing complexity while maintaining efficacy.
3Productivity
If compound synthesis is optimized, then manufacturing efficiency is improved, but synthesis complexity remains high
Solution Approach 1:
The patent employs preliminary action by preparing substituted aniline derivatives and other building blocks with predetermined substituents (R1-R9, X1-X2, Y1-Y2) before the final coupling reaction. This pre-functionalization allows the main synthesis step to proceed efficiently without requiring complex in-situ transformations, thereby improving productivity while managing overall process complexity.
Data Source
AI summary
Disclosed in the present invention are a class of compounds as Src inhibitors. Specifically, the present invention relates to a compound of general formula (1), a method for preparing same, and use of the compound of general formula (1) and isomers, crystalline forms, pharmaceutically acceptable salts, hydrates or solvates thereof as Src inhibitors. The compounds and the isomers, the crystalline forms, the pharmaceutically acceptable salts, the hydrates or the solvates thereof of the present invention can be used in the preparation of a medicament for treating or preventing a disease related to Src protein.