ML-309 (hydrochloride)

ML-309 is an inhibitor of mutant isocitrate dehydrogenase 1 (IDH1). It reversibly and selective inhibits IDH1R132H over wild-type IDH1 (IC50s = 96 and 36,500 nM, respectively). ML-309 reduces 2-hydroxyglutarate production in U87 MG glioblastoma cells (EC50 = 55 nM).Formal Name: N-[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(3-fluorophenyl)-1H-benzimidazole-1-acetamide, monohydrochloride. CAS Number: 1355327-02-4. Molecular Formula: C29H29FN4O2 . HCl. Formula Weight: 521.0. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMSO: soluble. SMILES: FC1=CC(N(C(C(NC2CCCC2)=O)C3=C(C)C=CC=C3)C(CN4C=NC5=C4C=CC=C5)=O)=CC=C1.Cl. InChi Code: InChI=1S/C29H29FN4O2.ClH/c1-20-9-2-5-14-24(20)28(29(36)32-22-11-3-4-12-22)34(23-13-8-10-21(30)17-23)27(35)18-33-19-31-25-15-6-7-16-26(25)33,/h2,5-10,13-17,19,22,28H,3-4,11-12,18H2,1H3,(H,32,36),1H. InChi Key: HYSMHAMFRFTZMP-UHFFFAOYSA-N.