ChemSpider 2D Image | (8R,9S)-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 | C19H14F2N6O

(8R,9S)-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

  • Molecular FormulaC19H14F2N6O
  • Average mass380.351 Da
  • Monoisotopic mass380.119720 Da
  • ChemSpider ID34452207

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8R,9S)-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]
(8R,9S)-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]
(8R,9S)-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]
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)-, (8R,9S)- [ACD/Index Name]
(8R,9S)-5-Fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-Methyl-1H-1,2,4-triazol-5-yl)-3H-pyrido[4,3,2-de]phthalazine-3-one
(8R,9S)-5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
(8R,9S)-BMN-673
(8R,9S)-Talazoparib
[1207456-00-5] [RN]
1207456-00-5 [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      BMN-673 (8R,9S) is the (8R,9S) enantiomer of BMN-673. MedChem Express http://www.medchemexpress.com/AP1903.html, HY-16106A
      BMN-673 (8R,9S) is the (8R,9S) enantiomer of BMN-673. BMN 673 is a novel PARP inhibitor with IC50 of 0.58 nM(PARP1). It 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 MedChem Express HY-16106A
      Cell Cycle/DNA Damage MedChem Express HY-16106A
      Cell Cycle/DNA Damage; MedChem Express HY-16106A
      PARP MedChem Express HY-16106A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

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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