Carboxylesterase-IN-3

• CAT Number: I044083
• CAS Number: 2764748-92-5
• Molecular Formula: C11H6Cl2N4OS
• Molecular Weight: 313.16
• Purity: ≥95%
• Synonyms: 6-(3,4-dichlorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
• InChI: InChI=1S/C11H6Cl2N4OS/c12-7-2-1-6(5-8(7)13)19-10-4-3-9-14-15-11(18)17(9)16-10/h1-5H,(H,15,18)
• InChIKey: DYBIDXYUMDMCON-UHFFFAOYSA-N
• SMILES: C1=CC(=C(C=C1SC2=NN3C(=NNC3=O)C=C2)Cl)Cl

Carboxylesterase-IN-3 (compound 4y) is a potent inhibitor of Carboxylesterase Notum with an IC50 less than or equal to 10 nM. Notum is a negative regulator of Wnt signaling acting through the hydrolysis of a palmitoleoylate ester, which is required for Wnt activity. Carboxylesterase-IN-3 has the potential for the research of cancer disease[1].

Reference

[1]. Steadman D, et al. Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity. J Med Chem. 2022;65(1):562-578.
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