Blog
Utilizing ChemAIRS to Explore Synthetic Strategies for BAY 2413555: A Bayer Therapeutic Candidate Targeting Heart Failure_EP16
ChemAIRS demonstrated its synthetic versatility by designing multiple routes to Bayer’s M₂ PAM BAY 2413555—a heart failure candidate—identifying key disconnections, optimizing intermediates, and providing scalable conditions. While preclinical vascular inflammation halted development, our AI-driven platform continues to accelerate cardiovascular drug discovery with precision.
Leveraging ChemAIRS to Investigate Synthetic Approaches for Azetidine-Based αvβ6 Integrin Inhibitors: Core Modifications of GSK3335103_EP17
ChemAIRS optimized synthetic routes for GSK’s novel αvβ6 integrin inhibitors—key targets in TGF-β1-driven fibrosis—enhancing scalability, selectivity, and yield while reducing side reactions. These orally bioavailable candidates (including leads (S)-20 and 28) show promise for treating idiopathic pulmonary fibrosis, demonstrating AI’s power in accelerating antifibrotic drug development.
Utilizing ChemAIRS to Investigate Synthesis Strategies for AZD5462: A Promising RXFP1 Agonist for Heart Failure Treatment_EP12
ChemAIRS accelerated the development of AstraZeneca/Mitsubishi Tanabe’s RXFP1 modulator AZD5462—a relaxin H2 mimetic for heart failure—by predicting synthetic routes, flagging side reactions, and proposing scalable alternatives. Transform your cardiovascular drug discovery with AI-driven retrosynthesis
Enhancing the Retrosynthetic Strategy for Orforglipron (LY3502970) Using ChemAIRS: Developing a More Streamlined and Efficient Synthetic Route Suggestion_EP18
ChemAIRS revolutionized the synthesis of Eli Lilly’s oral GLP-1 agonist Orforglipron—optimizing key intermediates and streamlining scale-up conditions for commercial-ready production. Accelerate your metabolic drug development with AI-driven retrosynthesis.
Leveraging ChemAIRS to Investigate Synthetic Strategies for Tetrahydrobenzoazepine Core of BTK Inhibitor BIIB091_EP13
ChemAIRS, an AI-powered retrosynthesis tool, was employed to explore the synthesis and process development of the tetrahydrobenzoazepine core in BTK inhibitor BIIB091. The software proposed an alternative reductive amination strategy for the final step, diverging from Biogen’s reported biocatalytic transamination approach. Additionally, ChemAIRS optimized conditions for the key ring-forming step and identified potential side reactions that could impact cyclization efficiency, offering valuable insights for reaction optimization.