ChemSpider 2D Image | UPF-1069 | C17H13NO3

UPF-1069

  • Molecular FormulaC17H13NO3
  • Average mass279.290 Da
  • Monoisotopic mass279.089539 Da
  • ChemSpider ID24606050

More details:

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

1(2H)-Isoquinolinone, 5-(2-oxo-2-phenylethoxy)- [ACD/Index Name]
1048371-03-4 [RN]
5-(2-Oxo-2-phenylethoxy)-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
5-(2-Oxo-2-phényléthoxy)-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
5-(2-Oxo-2-phenylethoxy)-1(2H)-isoquinolinone [ACD/IUPAC Name]
5-(2-oxo-2-phenylethoxy)-1,2-dihydroisoquinolin-1-one
5-(2-OXO-2-PHENYLETHOXY)-2H-ISOQUINOLIN-1-ONE
5-(2-Oxo-2-phenylethoxy)isoquinolin-1(2H)-one
MFCD14051631
UPF-1069
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-14478
      Cell Cycle/DNA Damage; MedChem Express HY-14478
      Enzymes Tocris Bioscience 3736
      PARP MedChem Express HY-14478
      PARP-2 inhibitor Tocris Bioscience 3736
      Poly(ADP-ribose) Polymerase Tocris Bioscience 3736
      Polymerases Tocris Bioscience 3736
      Selective poly(ADP-ribose) polymerase (PARP) 2 inhibitor (IC50 values are 0.3 and 8.0 ?M for PARP-2 and PARP-1 respectively). Tocris Bioscience 3736
      Selective poly(ADP-ribose) polymerase (PARP) 2 inhibitor (IC50 values are 0.3 and 8.0 muM for PARP-2 and PARP-1 respectively). Tocris Bioscience 3736
      UPF 1069 is a selective PARP2 inhibitor with IC50 of 0.3 ?M; ~27-fold selective against PARP1.; IC50 Value: 0.3 ?M; Target: PARP2; in vitro: In organotypic hippocampal slices, PARP-2 inhibition with UPF-1069 (0.01-1 micromolxL(-1)) caused a concentration-dependent exacerbation (up to 155%) of OGD-induced CA1 pyramidal cell death. MedChem Express HY-14478

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

Density: 1.3±0.1 g/cm3
Boiling Point: 570.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.7±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 77.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.45
ACD/KOC (pH 5.5): 429.32
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.45
ACD/KOC (pH 7.4): 429.31
Polar Surface Area: 55 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 222.0±3.0 cm3

Click to predict properties on the Chemicalize site


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