Selective Androgen Receptor Modulators for Tissue-Specific Binding
Find Innovative SolutionsGenerate Solutions
Solution Overview
Problem
Current treatments for hormone-related conditions associated with androgen decline, such as anemia, arthritis, and muscle wasting, lack effective selective androgen receptor modulators (SARMs) that can selectively target androgen receptors without the side effects of traditional androgenic steroids.
Innovation Solution
Development of novel heterocyclic compounds, specifically those of Formula 1, 2, or 3, which act as selective androgen receptor modulators (SARMs), capable of modulating androgen receptor activity to treat conditions like anemia, arthritis, and muscle wasting by selectively binding to androgen receptors.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If traditional androgenic steroids are used to treat hormone-related conditions, then androgen receptor activity is activated, but side effects occur due to non-selective binding
Solution Approach 1:
The patent applies local quality by designing compounds with specific heterocyclic structures (Formulae 1-3) that target particular androgen receptor sites or isoforms. The molecular structure incorporates specific functional groups (A, X, Y, Z substituents) that provide selective binding to androgen receptors in target tissues while avoiding non-selective binding to other androgen receptors, thereby achieving tissue-selective androgen receptor modulation without the broad side effects of traditional steroids
Solution Approach 2:
The patent employs parameter changes by systematically varying molecular parameters of the heterocyclic compounds (different heterocyclic rings, substituent positions, chain lengths R1-R10) to optimize selectivity. By adjusting these chemical parameters, the compounds achieve differential binding affinity for androgen receptors in different tissues, enabling selective activation in target tissues while minimizing activation in tissues that cause side effects
2Object-affected harmful factors
If new heterocyclic SARM compounds are developed to achieve selectivity, then side effects are reduced, but compound complexity increases
Solution Approach 1:
The patent applies segmentation by dividing the androgen receptor modulation function into distinct molecular segments represented by the heterocyclic core structure and various substituent groups (A, X, Y, Z, R1-R10). Each segment can be independently optimized for specific functions: the heterocyclic core provides the primary binding interaction, while substituents fine-tune selectivity and pharmacokinetic properties. This modular segmentation allows systematic development of selective compounds without requiring complete redesign of the entire molecular structure
Solution Approach 2:
The patent employs composite materials by creating hybrid molecular structures that combine heterocyclic chemistry with steroid-like pharmacophores. The compounds integrate diverse chemical moieties (heterocyclic rings, alkyl chains, aromatic groups) into a unified molecular architecture that achieves both selectivity and biological activity. This composite approach allows the molecule to interact with multiple binding sites on the androgen receptor simultaneously, enhancing selectivity while managing structural complexity
Data Source
AI summary
The present invention relates to a compound of Formula 1, 2 or 3: wherein A is N or –CR0 --, where R0 is hydrogen, C1 -C6 linear or branched chain alkyl, etc., Z is –CRe --, or, –N--, where Re is hydrogen, C1 -C6 linear or branched chain alkyl,etc.; R1 is hydrogen, C1 -C6 linear or branched chain alkyl, etc.; R2 are independently hydrogen or C1 -C6 linear or branched chain alkyl; R3 and R4 are independently hydrogen, C1 -C6 linear or branched chain alkyl, etc.;. R5 and R6 are independently hydrogen or C1 -C6 linear or branched chain alkyl, etc.; R8 is hydrogen, C1 -C6 linear or branched chain alkyl, etc.; R9 and R10 are independently hydrogen or C1 -C6 linear or branched chain alkyl, etc.; Q is --CO--, --(CH2 )q --, --(CHRS )q --, or –(CRS Rt )q--, where RS and Rt are independently C1 -C6 linear or branched chain alkyl, aryl, alkylaryl, heteroaryl or alkylheteroaryl; where q is 0, 1, 2, or 3; and, where n is 0, 2, 3, 4 or 5; or, a pharmaceutically acceptable salt thereof, to compositions containing such compounds; and to the uses of such compounds in the treatment of various diseases, particularly, those affected or mediated by the androgen receptor.