Enasidenib

Description: Enasidenib / AG-221 / CC-90007 is a potent and selective IDH2 inhibitor with potential anticancer activity (IDH2 = Isocitrate dehydrogenase 2). The mutations of IDH2 present in certain cancer cells result in a new ability of the enzyme to catalyze the NAPH-dependent reduction of α-ketoglutarate to R(-)-2-hydroxyglutarate (2HG). The production of 2HG is believed to contribute to the formation and progression of cancer . The inhibition of mutant IDH2 and its neoactivity is therefore a potential therapeutic treatment for cancer.

• Catalog: OFC1446502119
• CAS: 1446502-11-9
• Category: Fluorinated APIs
• Synonyms: AG-221
• Purity: >98%

• IUPAC Name: 2-methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
• InChI: InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)
• InChI Key: DYLUUSLLRIQKOE-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O

• Molecular Formula: C19H17F6N7O
• Molecular Weight: 473.38
• Appearance: White to off-white solid powder

• XLogP3-AA: 3.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 473.13987716 g/mol
• Monoisotopic Mass: 473.13987716 g/mol
• Topological Polar Surface Area: 109Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 635