AGI-5198

Description: AGI-5198 / IDH-C35 is the a very potent and selective mutant IDH1 inhibitor that was shown to potential anticancer activity. AGI-5198 inhibits IDH1 R132H mutant and R132C mutant in vitro with IC50 ~0.07 μM and ~0.16 μM, respectively.

• Catalog: OFC1355326350
• CAS: 1355326-35-0
• Category: Fluorinated APIs
• Synonyms: IDH-C35
• Purity: >98%

• IUPAC Name: N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
• InChI: InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)
• InChI Key: FNYGWXSATBUBER-UHFFFAOYSA-N
• Isomeric SMILES: CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C
• EC Number: 806-071-1

• Molecular Formula: C27H31FN4O2
• Molecular Weight: 462.56
• Appearance: White to off-white solid powder

• XLogP3-AA: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 462.24310441 g/mol
• Monoisotopic Mass: 462.24310441 g/mol
• Topological Polar Surface Area: 67.2Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 686