Tetrahydropyranyl amino-pyrrolopyrimidinone and methods of use thereof
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Solution Overview
Problem
There is a need for potent small molecule inhibitors of Bruton's Tyrosine Kinase (BTK) to treat immune disorders, cancer, cardiovascular diseases, viral infections, inflammation, metabolism/endocrine function disorders, and neurological disorders, as existing treatments are inadequate in efficacy and specificity.
Innovation Solution
Development of tetrahydropyranyl amino-pyrrolopyrimidinone compounds and their pharmaceutically acceptable forms, which inhibit BTK activity, including mutant forms, for use in pharmaceutical compositions to treat BTK-mediated disorders.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If existing BTK treatments are used, then some therapeutic effect is achieved, but efficacy and specificity are inadequate
Solution Approach 1:
The patent applies local quality by introducing specific substituent patterns at defined positions on the pyrrolopyrimidinone core structure. Different substituents (R1-R6 groups) are strategically placed to optimize both BTK binding affinity and selectivity, ensuring the compound interacts precisely with the target kinase while minimizing off-target effects.
Solution Approach 2:
The invention employs composite molecular architecture by combining a pyrrolopyrimidinone core with diverse substituent groups including tetrahydropyranyl, amino, and various aromatic or aliphatic moieties. This composite structure integrates multiple functional elements that collectively enhance both efficacy and specificity toward BTK.
2Reliability
If small molecule inhibitors are developed to improve efficacy, then potency increases, but complexity of compound structure increases
Solution Approach 1:
The patent segments the inhibitor molecule into distinct functional modules: a core pyrrolopyrimidinone scaffold and separate substituent groups (R1-R6) that can be independently optimized. This modular segmentation allows systematic improvement of potency through targeted modifications without requiring complete redesign of the entire molecular structure.
Solution Approach 2:
The invention utilizes parameter changes by systematically varying substituent types, sizes, and positions on the core structure to optimize binding affinity and potency. Different chemical groups are introduced at specific positions to fine-tune the interaction with BTK, achieving high potency through controlled structural parameter adjustments.
Data Source
AI summary
The application relates to a compound of Formula (I):or a pharmaceutically acceptable salt thereof, tautomer, prodrug, solvate, metabolite, polymorph, analog or derivative thereof, which modulates the activity of BTK, a pharmaceutical composition comprising the compound of Formula (I), and a method of treating or preventing a disease in which BTK plays a role.