Blog

Exploring the Synthesis of Janssen's RSV-F Inhibitor Using ChemAIRS_EP03
My Cao My Cao

Exploring the Synthesis of Janssen's RSV-F Inhibitor Using ChemAIRS_EP03

ChemAIRS, our AI-driven retrosynthesis platform, predicted Janssen’s synthetic route for a potent RSV fusion inhibitor—targeting a virus that hospitalizes vulnerable populations—and proposed a cost-effective alternative. This demonstrates ChemAIRS’ ability to generate optimized, customizable pathways for efficient drug synthesis.

Read More
Utilizing ChemAIRS to Explore Synthetic Strategies for BAY 2413555: A Bayer Therapeutic Candidate Targeting Heart Failure_EP16
My Cao My Cao

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.

Read More
Leveraging ChemAIRS to Investigate Synthetic Approaches for Azetidine-Based αvβ6 Integrin Inhibitors: Core Modifications of GSK3335103_EP17
My Cao My Cao

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.

Read More
Enhancing the Retrosynthetic Strategy for Orforglipron (LY3502970) Using ChemAIRS: Developing a More Streamlined and Efficient Synthetic Route Suggestion_EP18
Leveraging ChemAIRS to Investigate Synthetic Strategies for Tetrahydrobenzoazepine Core of BTK Inhibitor BIIB091_EP13
My Cao My Cao

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.

Read More