Talazoparib

Description: Talazoparib / BMN 673 is a novel PARP inhibitor with IC50 of 0.57 nM for PARP1 in a cell-free assay. It is also a potent inhibitor of PARP-2, but does not inhibit PARG and is highly sensitive to PTEN mutation. Phase 3.

• Catalog: OFC1207456016
• CAS: 1207456-01-6
• Category: Fluorinated APIs
• Synonyms: BMN 673
• Purity: >98%

• IUPAC Name: (11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
• InChI: InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1
• InChI Key: HWGQMRYQVZSGDQ-HZPDHXFCSA-N
• Isomeric SMILES: CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F
• EC Number: 806-564-1

• Molecular Formula: C19H14F2N6O
• Molecular Weight: 380.35
• Appearance: White to off-white solid powder

• XLogP3-AA: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 380.11971542 g/mol
• Monoisotopic Mass: 380.11971542 g/mol
• Topological Polar Surface Area: 84.2Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 654