Selective ACC2 Inhibitor Compounds Formula I
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Solution Overview
Problem
Current ACC2 inhibitors lack selectivity, often affecting both ACC1 and ACC2, which is undesirable due to the critical role of ACC1 in fetal development, and existing compounds do not provide adequate pharmacokinetic parameters for effective anti-diabetes and anti-obesity treatment.
Innovation Solution
Development of novel compounds with specific ACC2 inhibitory activity, represented by Formula (I), which includes a range of substituted and unsubstituted aromatic and heterocyclic groups, excluding specific structural exclusions to ensure selectivity and improved pharmacokinetic properties.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If existing ACC2 inhibitors are used, then ACC2 inhibitory activity is achieved, but ACC1 is also inhibited causing harmful effects
Solution Approach 1:
The patent applies local quality by introducing specific substituents at defined positions on the aromatic ring structure. The R1 group (various heterocyclic or aromatic groups) and R2-R6 substituents (including halogens, alkyl groups, and specific functional groups) create localized chemical properties that enable selective binding to ACC2 over ACC1, achieving differential inhibition through structural differentiation
Solution Approach 2:
The patent employs parameter changes by systematically varying molecular parameters including the type of R1 group (different heterocyclic systems), the nature of R2-R6 substituents, and the positions of substitution on the aromatic ring. These parameter variations optimize the compound's selectivity profile to preferentially inhibit ACC2 while sparing ACC1
2Object-affected harmful factors
If selective ACC2 inhibitors are developed, then safety is improved, but compound structure complexity increases
Solution Approach 1:
The patent achieves selectivity through controlled parameter changes within a defined structural framework. By varying R1 (selected from specific heterocyclic groups), R2-R6 (various substituents), and their positions on the aromatic ring, the invention optimizes selectivity while maintaining reasonable structural complexity through systematic modification of a core scaffold
Solution Approach 2:
The patent creates composite molecular structures by combining a core aromatic ring system with various heterocyclic R1 groups and multiple substituent types (R2-R6). This composite approach integrates different functional moieties into a unified molecular architecture that achieves selective ACC2 inhibition through synergistic structural features
Data Source
AI summary
The object of the present invention is to provide novel compounds having ACC2 inhibiting activity. In addition, the object of the present invention is to provide a pharmaceutical composition comprising the compound.A compound of formula (I):wherein R1 is substituted or unsubstituted fused aromatic heterocyclyl etc.,ring A is substituted or unsubstituted non-aromatic carbocycle etc.,-L1- is —O—(CR6R7)m- etc.,-L2- is —O—(CR6R7)n- etc.,each R6 and R7 are independently hydrogen, halogen etc.,R2 is substituted or unsubstituted alkyl,R3 is hydrogen or substituted or unsubstituted alkyl,R4 is substituted or unsubstituted alkylcarbonyl etc.