ChemSpider 2D Image | GSK2194069 | C25H24N4O3

GSK2194069

  • Molecular FormulaC25H24N4O3
  • Average mass428.483 Da
  • Monoisotopic mass428.184845 Da
  • ChemSpider ID32034477

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-4-(4-(Benzofuran-5-yl)phenyl)-3-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-1H-1,2,4-triazol-5(4H)-one
1332331-08-4 [RN]
3H-1,2,4-Triazol-3-one, 4-[4-(5-benzofuranyl)phenyl]-5-[[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl]-2,4-dihydro- [ACD/Index Name]
4-[4-(1-Benzofuran-5-yl)phenyl]-5-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
4-[4-(1-Benzofuran-5-yl)phenyl]-5-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
4-[4-(1-Benzofuran-5-yl)phényl]-5-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]méthyl}-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
4-[4-(1-Benzofuran-5-Yl)phenyl]-5-{[(3s)-1-(Cyclopropylcarbonyl)pyrrolidin-3-Yl]methyl}-2,4-Dihydro-3h-1,2,4-Triazol-3-One
GSK2194069
MFCD28167807
(S)-4-(4-(benzofuran-5-yl)phenyl)-5-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold for research purposes under agreement from GlaxoSmithKline Tocris Bioscience 5303

    • Bio Activity:

      Enzymes Tocris Bioscience 5303
      Fatty Acid Synthase Tocris Bioscience 5303
      GSK2194069 is a potent and specific inhibitor of the ?-ketoacyl reductase (KR) activity of hFAS with an IC50 of 7.7 ? 4.1 nM in an assay detecting released CoA.; IC50 value: ; Target: hFAS inhibitor; MedChem Express HY-12325
      Others MedChem Express HY-12325
      Potent human fatty acid synthase (hFASN) inhibitor Tocris Bioscience 5303
      Potent human fatty acid synthase (hFASN) inhibitor (IC50 = 7.7 nM); inhibits hFAS ?-ketoacyl reductase activity. Inhibits lipid synthesis and attenuates proliferation of A549 non-small-cell lung cance r cells (EC50 = 15 nM) in vitro. Tocris Bioscience 5303
      Potent human fatty acid synthase (hFASN) inhibitor (IC50 = 7.7 nM); inhibits hFAS ?-ketoacyl reductase activity. Inhibits lipid synthesis and attenuates proliferation of A549 non-small-cell lung cancer cells (EC50 = 15 nM) in vitro. Tocris Bioscience 5303
      Potent human fatty acid synthase (hFASN) inhibitor (IC50 = 7.7 nM); inhibits hFAS beta-ketoacyl reductase activity. Inhibits lipid synthesis and attenuates proliferation of A549 non-small-cell lung cancer cells (EC50 = 15 nM) in vitro. Tocris Bioscience 5303
      Transferases Tocris Bioscience 5303

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.743
Molar Refractivity: 119.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 30.82
ACD/KOC (pH 5.5): 378.61
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 2.11
ACD/KOC (pH 7.4): 25.95
Polar Surface Area: 78 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 295.7±7.0 cm3

Click to predict properties on the Chemicalize site


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