Phosphonic Acid Derivatives as Selective S1P Receptor Modulators
Find Innovative SolutionsGenerate Solutions
Solution Overview
Problem
Current treatments for disorders associated with sphingosine-1-phosphate receptor modulation lack effective and selective modulators, which are essential for addressing various diseases including cardiovascular diseases, cancers, and inflammatory conditions.
Innovation Solution
Development of novel phosphonic acid derivatives with specific structural formulas that act as potent and selective sphingosine-1-phosphate modulators, including compounds like {3-[(4-{5-[2′-methyl-2-(trifluoromethyl)biphenyl-4-yl]-1,2,4-oxadiazol-3-yl}benzyl)amino]propyl}phosphonic acid, which can function as receptor agonists, antagonists, or inverse agonists.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If current treatments are used for disorders associated with sphingosine-1-phosphate receptor modulation, then existing therapeutic options are available, but effective and selective modulators are lacking
Solution Approach 1:
The patent applies parameter changes by systematically varying molecular parameters of phosphonic acid derivatives, including substituent types (aromatic, heterocyclic, alkyl groups), positional isomers, and stereochemical configurations. This enables optimization of both therapeutic effectiveness and receptor modulation selectivity by tuning the chemical structure to achieve desired biological activity profiles across different S1P receptor subtypes
Solution Approach 2:
The invention employs composite molecular structures combining phosphonic acid core with diverse aromatic and heterocyclic substituents. These composite structures create potent and selective S1P modulators that address multiple therapeutic indications simultaneously, resolving the contradiction between effectiveness and selectivity through multi-functional molecular design
2Reliability
If novel phosphonic acid derivatives are developed as S1P modulators, then potent and selective receptor modulation is achieved, but structural complexity increases
Solution Approach 1:
The patent applies segmentation by dividing the molecular structure into distinct functional modules: a phosphonic acid core, aromatic/heterocyclic substituent groups, and linker moieties. This modular approach allows systematic optimization of potency while managing structural complexity through standardized building blocks that can be combined in various configurations
Solution Approach 2:
The invention achieves universality by designing a core phosphonic acid structure that can accommodate multiple types of substituents and serve multiple therapeutic functions. The same molecular scaffold can be adapted for different S1P receptor subtypes and various disease indications, reducing the need for entirely separate complex structures for each application
Data Source
AI summary
The present invention relates to novel phosphonic acids derivatives, processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals as modulators of sphingosine-1-phosphate receptors.