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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 Specifications & Purity Moligand™ Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of pyruvate kinase M1/2
Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
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 ] [10.1021/op500134e ]
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