ChemSpider 2D Image | Talazoparib | C19H14F2N6O


  • Molecular FormulaC19H14F2N6O
  • Average mass380.351 Da
  • Monoisotopic mass380.119720 Da
  • ChemSpider ID28637772
  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(8S,9R)-5-Fluor-8-(4-fluorphenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-on [German] [ACD/IUPAC Name]
(8S,9R)-5-Fluoro-8-(4-fluorophényl)-9-(1-méthyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tétrahydro-3H-pyrido[4,3,2-de]phtalazin-3-one [French] [ACD/IUPAC Name]
(8S,9R)-5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one [ACD/IUPAC Name]
1207456-01-6 [RN]
3H-Pyrido[4,3,2-de]phthalazin-3-one, 5-fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-, (8S,9R)- [ACD/Index Name]
BMN 673
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2502
      H303;H313;H317;H333;H334;H335;H383 Axon Medchem 2502
      no pictogram Axon Medchem 2502
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P350 Axon Medchem 2502
      Warning Axon Medchem 2502
    • Bio Activity:

      BMN 673 is a novel PARP1/2 inhibitor with IC50 of 0.58 nM(PARP1); does not inhibit PARG and is highly sensitive to PTEN mutation. MedChem Express, HY-16106
      BMN 673 is a novel PARP1/2 inhibitor with IC50 of 0.58 nM(PARP1); does not inhibit PARG and is highly sensitive to PTEN mutation. ;IC50 Value: 0.58 nM;Target: PARPBMN-673 is an orally bioavailable inhibitor of the nuclear enzyme poly(ADP-ribose) polymerase (PARP) with potential antineoplastic activity. PARP inhibitor BMN-673 selectively binds to PARP and prevents PARP-mediated DNA repair of single strand DNA breaks via the base-excision repair pathway. This enhances the accumulation of DNA strand breaks, promotes genomic instability and eventually leads to apoptosis. PARP catalyzes post-translational ADP-ribosylation of nuclear proteins that signal and recruit other proteins to repair damaged DNA and is activated by single-strand DNA breaks. BMN-673 has been proven to be highly active in mouse models of human cancer and also appears to be more selectively cytotoxic with a longer half-life and better bioavailability as compared to other compounds in development. MedChem Express HY-16106
      Cell Cycle/DNA Damage MedChem Express HY-16106
      Cell Cycle/DNA Damage; MedChem Express HY-16106
      PARP MedChem Express HY-16106

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.775
Molar Refractivity: 97.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.27
ACD/KOC (pH 5.5): 330.88
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 23.31
ACD/KOC (pH 7.4): 331.49
Polar Surface Area: 84 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 232.3±7.0 cm3

Click to predict properties on the Chemicalize site

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