Spiro Compound S1P1 Agonist Autoimmune Treatment
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Solution Overview
Problem
Current S1P1 receptor agonists have limitations in effectively treating autoimmune diseases due to suboptimal activity and pharmacokinetics, necessitating the development of novel compounds with improved druggability.
Innovation Solution
A compound represented by formula (I) or its pharmaceutically acceptable salt, which acts as a S1P1 receptor agonist, is synthesized with specific structural variations to enhance activity, pharmacokinetics, and druggability, reducing lymphocyte circulation and treating autoimmune diseases.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If current S1P1 receptor agonists are used, then some therapeutic effect is achieved, but the activity and pharmacokinetics are suboptimal for effectively treating autoimmune diseases
Solution Approach 1:
The patent applies parameter changes by systematically modifying molecular parameters of S1P1 receptor agonists, including substituent types (R1, R2, R), ring structures (ring A, ring B), and molecular connectivity (m, n values) to optimize both activity and pharmacokinetic properties. This is evident in the comprehensive structural variations presented in formula (I) and the numerous specific embodiments, where different parameter combinations are explored to achieve superior therapeutic effects compared to existing agonists.
2Duration of action of moving object
If current S1P1 receptor agonists are used, then some pharmacokinetic properties are achieved, but the overall druggability is insufficient
Solution Approach 1:
The patent employs composite material principles by creating complex molecular structures that combine multiple functional elements: different ring systems (aromatic and heteroaromatic), various substituent groups (halogens, alkyls, alkoxy, amino, cyano, carboxyl), and diverse connectivity patterns. These composite molecular architectures in formula (I) integrate multiple pharmacophoric features to achieve both improved pharmacokinetics and enhanced druggability, making the compounds more versatile drug candidates.
Data Source
AI summary
The present disclosure relates to a series of tricyclic compounds and the use thereof as receptor agonists of sphingosine-1-phosphate subtype 1 (S1P1), and in particular relates to compounds as shown in formula (I) or pharmaceutically acceptable salts thereof.