Pancreatic lipase/Carboxylesterase 1-IN-1

• CAT Number: I043705
• CAS Number: 194235-21-7
• Molecular Formula: C30H44O4
• Molecular Weight: 468.67
• Purity: ≥95%
• Synonyms: (4aS,6aR,6aS,6bR,8aR,12aR,14bS)-11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,13,14b-decahydro-1H-picene-4a-carboxylic acid
• InChI: InChI=1S/C30H44O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,17,19,21-22,31H,9-16H2,1-7H3,(H,33,34)/t19-,21-,22+,27-,28+,29+,30-/m0/s1
• InChIKey: OQLDDXDMTOPTDO-QRARIYCASA-N
• SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(C=C(C(=O)C5(C)C)O)C)C)C2C1)C)C(=O)O)C

Pancreatic lipase/Carboxylesterase 1-IN-1 (Compound 39) is a potent dual inhibitor of pancreatic lipase (PL) and human carboxylesterase 1A (hCES1A) with IC50 values of 2.13 µM and 0.055  µM against PL and hCES1A[1].

Reference

[1]. Zhang J, et al. Discovery of triterpenoids as potent dual inhibitors of pancreatic lipase and human carboxylesterase 1. J Enzyme Inhib Med Chem. 2022 Dec;37(1):629-640.
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