GSK864

GSK864 is an allosteric inhibitor of mutant isocitrate dehydrogenase 1 (IDH1, IC50s = 9, 15, and 17 nM for IDH1 mutants R132C, R132H, and R132G, respectively). It is moderately selective for mutant IDH1 over wild-type IDH1 and IDH2 mutants/wild-type. GSK864 causes a dose-dependent reduction in 2-hydroxyglutarate and overcomes the block of differentiation in acute myeloid leukemia (AML) cells expressing mutant IDH1. It reduces the number of leukemic blasts in mice with AML xenografts. See the Structural Genomics Consortium (SGC) website for more information.Formal Name: (S)-1-(4-fluorobenzyl)-N3-(4-methoxy-3,5-dimethylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3,7-dicarboxamide. CAS Number: 1816331-66-4. Molecular Formula: C30H31FN6O4. Formula Weight: 558.6. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 20 mg/ml, DMSO: 20 mg/ml, Ethanol: 20 mg/ml, Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml. lambdamax: 270 nm. SMILES: O=C(NC1=CC(C)=C(OC)C(C)=C1)C2=NN(CC3=CC=C(F)C=C3)C4=C2CN(C(C5=CC=CN5)=O)C[C@]4(C)C(N)=O. InChi Code: InChI=1S/C30H31FN6O4/c1-17-12-21(13-18(2)25(17)41-4)34-27(38)24-22-15-36(28(39)23-6-5-11-33-23)16-30(3,29(32)40)26(22)37(35-24)14-19-7-9-20(31)10-8-19/h5-13,33H,14-16H2,1-4H3,(H2,32,40)(H,34,38)/t30-/m0/s1. InChi Key: DUCNNEYLFOQFSW-PMERELPUSA-N.