CES2A-IN-2

• Description:

  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].

• 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.

• Shipping Conditions:

  Room temperature

• Scientific Category:

  Reference compound1

• Clinical Information:

  No Development Reported

• Isoform:

  CES1; CES2