Vorasidenib

Description: Vorasidenib / AG-881 specifically inhibits mutant forms of IDH1 and IDH2, thereby inhibiting the formation of the oncometabolite 2-hydroxyglutarate (2HG) from alpha-ketoglutarate (a-KG). This prevents 2HG-mediated signaling and leads to both an induction of cellular differentiation and an inhibition of cellular proliferation in tumor cells expressing IDH mutations.

• Catalog: OFC1644545527
• CAS: 1644545-52-7
• Category: Fluorinated APIs
• Synonyms: AG-881
• Purity: >98%

• IUPAC Name: 6-(6-chloropyridin-2-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
• InChI: InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1
• InChI Key: QCZAWDGAVJMPTA-RNFRBKRXSA-N
• Isomeric SMILES: C[C@H](C(F)(F)F)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)N[C@H](C)C(F)(F)F

• Molecular Formula: C14H13ClF6N6
• Molecular Weight: 414.74
• Appearance: White to off-white solid powder

• XLogP3-AA: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 414.0794411 g/mol
• Monoisotopic Mass: 414.0794411 g/mol
• Topological Polar Surface Area: 75.6Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 448