BAY-1436032

Description: BAY-1436032 is a highly selective, potent and orally available inhibitor of mutant Isocitrate Dehydrogenase 1 (mIDH1). It is a double-digit nanomolar and selective pan-inhibitor of the enzymatic activity of various IDH1-R132X mutants in vitro and displays potent inhibition of 2-HG release (nanomolar range) in patient derived and engineered cell lines expressing different IDH1 mutants.

• Catalog: OFC1803274658
• CAS: 1803274-65-8
• Category: Fluorinated APIs
• Purity: >98%

• IUPAC Name: 3-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]propanoic acid
• InChI: InChI=1S/C26H30F3N3O3/c1-16-12-19(15-25(2,3)14-16)32-22-10-4-17(5-11-23(33)34)13-21(22)31-24(32)30-18-6-8-20(9-7-18)35-26(27,28)29/h4,6-10,13,16,19H,5,11-12,14-15H2,1-3H3,(H,30,31)(H,33,34)/t16-,19+/m0/s1
• InChI Key: RNMAUIMMNAHKQR-QFBILLFUSA-N
• Isomeric SMILES: C[C@H]1C[C@H](CC(C1)(C)C)N2C3=C(C=C(C=C3)CCC(=O)O)N=C2NC4=CC=C(C=C4)OC(F)(F)F

• Molecular Formula: C26H30F3N3O3
• Molecular Weight: 489.54
• Appearance: White to off-white solid powder

• XLogP3-AA: 7.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 489.22392631 g/mol
• Monoisotopic Mass: 489.22392631 g/mol
• Topological Polar Surface Area: 76.4Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 726