ChemSpider 2D Image | PF-05105679 | C26H21FN2O3

PF-05105679

  • Molecular FormulaC26H21FN2O3
  • Average mass428.455 Da
  • Monoisotopic mass428.153625 Da
  • ChemSpider ID57871141

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1398583-31-7 [RN]
3-({(3-Chinolinylcarbonyl)[(1R)-1-(4-fluorphenyl)ethyl]amino}methyl)benzoesäure [German] [ACD/IUPAC Name]
3-({[(1R)-1-(4-Fluorophenyl)ethyl](3-quinolinylcarbonyl)amino}methyl)benzoic acid [ACD/IUPAC Name]
3-({N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(quinolin-3-yl)formamido}methyl)benzoic acid
Acide 3-({[(1R)-1-(4-fluorophényl)éthyl](3-quinoléinylcarbonyl)amino}méthyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[(1R)-1-(4-fluorophenyl)ethyl](3-quinolinylcarbonyl)amino]methyl]- [ACD/Index Name]
PF-05105679
(R)-3-((N-(1-(4-fluorophenyl)ethyl)quinoline-3-carboxamido)methyl)benzoic acid
[1398583-31-7] [RN]
3-[[[(1R)-1-(4-fluorophenyl)ethyl](3-quinolinylcarbonyl)amino]methyl]-benzoic acid
More...

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

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold for research purposes under agreement from Pfizer Inc Tocris Bioscience 6003

    • Bio Activity:

      Ion Channels Tocris Bioscience 6003
      Selective TRPM8 blocker Tocris Bioscience 6003
      Selective TRPM8 blocker (IC50 = 103 nM). Exhibits >100-fold selectivity for TRPM8 over a panel of receptors, ion channels and enzymes, including TRPV1 and TRPA1 ion channels. Reduces body temperature in rats and reverses cold-induced bladder capacity reduction in guinea pigs. Orally bioavailable. Tocris Bioscience 6003
      Transient Receptor Potential Channels Tocris Bioscience 6003
      TRPM Tocris Bioscience 6003

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

Density: 1.3±0.1 g/cm3
Boiling Point: 669.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.4±31.5 °C
Index of Refraction: 1.661
Molar Refractivity: 121.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 58.02
ACD/KOC (pH 5.5): 258.82
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 1.73
ACD/KOC (pH 7.4): 7.73
Polar Surface Area: 71 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 327.5±3.0 cm3

Click to predict properties on the Chemicalize site


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