CES2A-IN-2

CES2A-IN-2 (compound 14n) is an orally active, highly specific, irreversible and covalent CES2A inhibitor with an IC50 of 0.04 nM for human CES2A. CES2A-IN-2 covalently binds to CES2A by specifically targeting the catalytic serine residue (Ser-228) . CES2A-IN-2 can significantly ameliorate Irinotecan-triggered gut toxicity (ITGT) without diminishing the anti-tumor effects of Irinotecan (HY-16562) in tumor-bearing mice[1].

Product Specifications

UNSPSC

12352005

Target

Carboxylesterase (CES)

Related Pathways

Metabolic Enzyme/Protease

Applications

Metabolism-protein/nucleotide metabolism

Field of Research

Cancer; Metabolic Disease

Smiles

COC1=C(OC(N(CC)C)=O)C=CC(C(N2CCC(CC3=CC=CC=C3)CC2)=O)=C1

Molecular Formula

C24H30N2O4

Molecular Weight

410.51

References & Citations

[1]Zhipei Sang, et al. AI-Driven Discovery of Highly Specific and Efficacious hCES2A Inhibitors for Ameliorating Irinotecan-Triggered Gut Toxicity. J Med Chem. 2025 Mar 27;68 (6) :6252-6269.