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N-(4-{3-[2-(methylcarbamoyl)ethyl]-5-[4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]-1H-pyrazol-1-yl}phenyl)prop-2-ynamide , CAS No.N608895, Inhibitor of pyruvate kinase M1/2
Basic Description Synonyms compound 1 Specifications & Purity Moligand™ Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of pyruvate kinase M1/2
Associated Targets(Human) Associated Targets(non-human) Names and Identifiers IUPAC Name N-(4-{3-[2-(methylcarbamoyl)ethyl]-5-[4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]-1H-pyrazol-1-yl}phenyl)prop-2-ynamide INCHI InChI=1S/C29H23F3N4O2/c1-3-27(37)34-23-12-15-25(16-13-23)36-26(18-24(35-36)14-17-28(38)33-2)21-6-4-19(5-7-21)20-8-10-22(11-9-20)29(30,31)32/h1,4-13,15-16,18H,14,17H2,2H3,(H,33,38)(H,34,37) InChi Key UOGAVVINOTWELT-UHFFFAOYSA-N Canonical SMILES CNC(=O)CCc1nn(c(c1)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)NC(=O)C#C Isomeric SMILES CNC(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)NC(=O)C#C PubChem CID 139593556
References 1. Hsieh IS, Gopula B, Chou CC, Wu HY, Chang GD, Wu WJ, Chang CS, Chu PC, Chen CS. (2019) Development of Novel Irreversible Pyruvate Kinase M2 Inhibitors.. J Med Chem, 62 (18): (8497-8510). [PMID:31465224 ]
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