Cabozantinib (free base)

Description: Cabozantinib / XL184 / BMS-907351 is a potent VEGFR2 inhibitor with IC50 of 0.035 nM and also inhibits c-Met, Ret, Kit, Flt-1/3/4, Tie2, and AXL with IC50 of 1.3 nM, 4 nM, 4.6 nM, 12 nM/11.3 nM/6 nM, 14.3 nM and 7 nM in cell-free assays, respectively.

• Catalog: OFC849217681
• CAS: 849217-68-1
• Category: Fluorinated APIs
• Synonyms: BMS-90735
• Purity: >98%

• IUPAC Name: 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• InChI: InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
• InChI Key: ONIQOQHATWINJY-UHFFFAOYSA-N
• Isomeric SMILES: COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F
• EC Number: 692-846-8

• Molecular Formula: C28H24FN3O5
• Molecular Weight: 501.51
• Appearance: White to off-white solid powder

• XLogP3-AA: 5.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 501.16999904 g/mol
• Monoisotopic Mass: 501.16999904 g/mol
• Topological Polar Surface Area: 98.8Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 795