ML-211

• CAT Number: I044336
• CAS Number: 2205032-89-7
• Molecular Formula: C25H30N4O2
• Molecular Weight: 418.53
• Purity: ≥95%
• Synonyms: (4-tert-butylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-2-yl]methanone
• InChI: InChI=1S/C25H30N4O2/c1-24(2,3)19-14-16-28(17-15-19)23(30)29-26-18-22(27-29)25(31,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,31H,14-17H2,1-3H3
• InChIKey: LPTMHNPBMQCQPG-UHFFFAOYSA-N
• SMILES: CC(C)(C)C1CCN(CC1)C(=O)N2N=CC(=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

ML-211 is a carbamate-based dual inhibitor of acyl-protein thioesterase 1 (APT1)/lysophospholipase 1 (LYPLA1) (IC50=17 nM) and LYPLA2 (IC50=30 nM). ML-211 also inhibits theserine hydrolase ABHD11 with an IC50 value of 10 nM but is ≥ 50-fold selective for LYPLA in a panel of 20 additional serine hydrolases[1].

Reference

[1]. Adibekian, A., Martin, B.R., Speers, A.E., et al. Optimization and characterization of a triazole urea dual inhibitor for lysophospholipase 1 (LYPLA1) and lysophospholipase 2 (LYPLA2). Probe Reports from the NIH Molecular Libraries Program 1 R01 CA132630, 1-42 (2013).
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