ChemSpider 2D Image | GKT-831 | C21H19ClN4O2


  • Molecular FormulaC21H19ClN4O2
  • Average mass394.854 Da
  • Monoisotopic mass394.119659 Da
  • ChemSpider ID29785291

More details:

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

1218942-37-0 [RN]
1H-Pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione, 2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl- [ACD/Index Name]
2-(2-Chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione [ACD/IUPAC Name]
2-(2-Chlorophényl)-4-[3-(diméthylamino)phényl]-5-méthyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione [French] [ACD/IUPAC Name]
2-(2-Chlorphenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazolo[4,3-c]pyridin-3,6(2H,5H)-dion [German] [ACD/IUPAC Name]
GKT-831 [Wiki]
[1218942-37-0] [RN]

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

45II35329V [DBID]
UNII:45II35329V [DBID]
UNII-45II35329V [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      GKT137831 is a novel and specific dual Nox1/Nox4 inhibitor with Ki of 140?40 nM and 110?30 nM; a potent inhibitor of fibrosis and hepatocyte apoptosis.; IC50 value: 140?40 nM/110?30 nM(Nox1/Nox4, Ki) [1]; Target: Nox1/Nox4; in vitro: GKT137831 attenuated hypoxia-induced H(2)O(2) release, proliferation, and TGF-?1 expression and blunted reductions in PPAR? in HPAECs and HPASMCs in vitro [2]. MedChem Express HY-12298
      Others MedChem Express HY-12298

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

Density: 1.4±0.1 g/cm3
Boiling Point: 560.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.8±32.9 °C
Index of Refraction: 1.713
Molar Refractivity: 108.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 45.28
ACD/KOC (pH 5.5): 477.53
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.35
ACD/KOC (pH 7.4): 699.75
Polar Surface Area: 56 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 276.9±5.0 cm3

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