Blog
Oveporexton (TAK-861) Synthesis: A ChemAIRS® Retrosynthetic Analysis
Retrosynthetic analysis of oveporexton (TAK-861), the first-in-class OX2R agonist for narcolepsy type 1, now under FDA Priority Review, planned with ChemAIRS®.
Synthesis of Vepdegestrant (ARV-471): ChemAIRS® Route Design for the First Approved PROTAC
Synthesis of vepdegestrant (ARV-471): ChemAIRS® retrosynthetic analysis of the first FDA-approved PROTAC degrader for ESR1-mutated breast cancer.
Daraxonrasib (RMC-6236) Synthesis: ChemAIRS® Retrosynthesis of an FDA-Approved RAS(ON) Inhibitor
Synthesis of daraxonrasib (RMC-6236): ChemAIRS® proposes discovery and process routes for the RAS(ON) inhibitor now under FDA review.
Zidesamtinib (NVL-520, Jideytro): ChemAIRS® Retrosynthetic Analysis of a TRK-Sparing ROS1 Inhibitor
Zidesamtinib (NVL-520) is a macrocyclic ROS1 inhibitor that presents an interesting retrosynthetic challenge. Explore two proposed synthetic routes using ChemAIRS®, comparing fragment assembly, stereocenter formation, macrocyclization strategy, and route length.
Sonrotoclax (BGB-11417, Beqalzi): ChemAIRS® Retrosynthetic Analysis and a Four-Step Route
Sonrotoclax (BGB-11417, Beqalzi) is a BCL2 inhibitor that stays active against the venetoclax-resistant G101V mutant. ChemAIRS® proposes a four-step route, down from nine, with the P2 head group installed in the last step.
Empowering Radical Cross-Coupling Chemistry through AI-Driven Retrosynthesis and Real-World Validation.
This article explores how radical cross-coupling chemistry and AI-driven retrosynthesis are converging to reshape modern synthesis. By examining case studies from Baran-lab RCC methods and evaluating ChemAIRS® route-planning performance, we show how AI is increasingly capable of recognizing, ranking, and proposing radical disconnections with expert-level intuition. Combined with new hydrazide-based redox-free RCC protocols and commercially available sulfonyl hydrazides, this integration is transforming radical chemistry from a specialized technique into a practical, accessible tool for medicinal chemists.
Human–AI Synergy in Retrosynthetic Analysis and Route Optimization of Balinatunfib
Discover how AI-driven retrosynthesis and human expertise converge in the development of Balinatunfib (SAR-441566), a first-in-class small-molecule TNF-α inhibitor. Learn about its unique allosteric mechanism, clinical progress, and how ChemAIRS revolutionizes route optimization, enabling cost-effective and scalable synthesis in modern drug discovery.