ChemSpider 2D Image | PF-04991532 | C18H19F3N4O3


  • Molecular FormulaC18H19F3N4O3
  • Average mass396.364 Da
  • Monoisotopic mass396.140930 Da
  • ChemSpider ID28641839
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1215197-37-7 [RN]
(S)-6-(3-Cyclopentyl-2-(4-(trifluoroMethyl)-1H-iMidazol- 1-yl)propanaMido)nicotinic Acid
(S)-6-(3-Cyclopentyl-2-(4-(trifluoromethyl)-1H-imidazol-1-yl)propanamido)nicotinic Acid
3-Pyridinecarboxylic acid, 6-(((2S)-3-cyclopentyl-1-oxo-2-(4-(trifluoromethyl)-1H-imidazol-1-yl)propyl)amino)-
3-Pyridinecarboxylic acid, 6-[[(2S)-3-cyclopentyl-1-oxo-2-[4-(trifluoromethyl)-1H-imidazol-1-yl]propyl]amino]- [ACD/Index Name]
6-({(2S)-3-Cyclopentyl-2-[4-(trifluormethyl)-1H-imidazol-1-yl]propanoyl}amino)nicotinsäure [German] [ACD/IUPAC Name]
6-({(2S)-3-Cyclopentyl-2-[4-(trifluoromethyl)-1H-imidazol-1-yl]propanoyl}amino)nicotinic acid [ACD/IUPAC Name]

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 6345
    • Bio Activity:

      Enzymes Tocris Bioscience 6345
      Hexokinases Tocris Bioscience 6345
      Kinases Tocris Bioscience 6345
      Potent hepatoselective glucokinase activator Tocris Bioscience 6345
      Potent hepatoselective glucokinase activator (EC50 = 90 nM). Exhibits >50-fold liver to pancreas ratio of tissue distribution. Reduces fasting and postprandial glucose levels with no hypoglycemia in a rat diabetes model. Tocris Bioscience 6345

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

Density: 1.5±0.1 g/cm3
Boiling Point: 646.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.8±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 93.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 9.21
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 267.5±7.0 cm3

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