ChemSpider 2D Image | PF-3845 | C24H23F3N4O2

PF-3845

  • Molecular FormulaC24H23F3N4O2
  • Average mass456.460 Da
  • Monoisotopic mass456.177307 Da
  • ChemSpider ID26232165

More details:






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

1196109-52-0 [RN]
1-Piperidinecarboxamide, N-3-pyridinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]- [ACD/Index Name]
N-(3-Pyridinyl)-4-(3-{[5-(trifluormethyl)-2-pyridinyl]oxy}benzyl)-1-piperidincarboxamid [German] [ACD/IUPAC Name]
N-(3-Pyridinyl)-4-(3-{[5-(trifluoromethyl)-2-pyridinyl]oxy}benzyl)-1-piperidinecarboxamide [ACD/IUPAC Name]
N-(3-Pyridinyl)-4-(3-{[5-(trifluorométhyl)-2-pyridinyl]oxy}benzyl)-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
PF-3845 [Wiki]
Q3PW846TYN
[1196109-52-0]
4-(3-(5-(trifluoromethyl)pyridin-2-yloxy)benzyl)-N-(pyridin-3-yl)piperidine-1-carboxamide
MFCD18382105
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

      DMSO MedChem Express HY-14380
      Soluble in 0.1N HCl(aq) and DMSO Axon Medchem 1711
      Soluble to 100 mM in DMSO Tocris Bioscience 4175
      Soluble to 100 mM in DMSO and to 50 mM in ethanol Tocris Bioscience 4175
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1711
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1711
      no pictogram Axon Medchem 1711
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1711
      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 4175
      Warning Axon Medchem 1711
    • Bio Activity:

      Enzymes Tocris Bioscience 4175
      FAAH MedChem Express HY-14380
      Fatty Acid Amide Hydrolase (FAAH) Tocris Bioscience 4175
      Hydrolases Tocris Bioscience 4175
      Neuronal Signaling MedChem Express HY-14380
      Neuronal Signaling; MedChem Express HY-14380
      PF-3845 is a selective fatty acid amide hydrolase (FAAH) inhibitor (Ki = 0.23 ?M); showing negligible activity against FAAH2.; IC50 value: 0.23 uM; Target: FAAH; PF-3845 selectively inhibits FAAH by carbamylating FAAH's serine nucleophile [1]. MedChem Express HY-14380
      Selective FAAH inhibitor Tocris Bioscience 4175
      Selective fatty acid amide hydrolase (FAAH) inhibitor (Ki = 0.23 ?M). Reduces inflammatory pain via a cannabinoid receptor-dependent mechanism. Highly efficacious and selective in vivo. Displays no ac tivity at FAAH-2 (IC50 >10 ?M). Tocris Bioscience 4175
      Selective fatty acid amide hydrolase (FAAH) inhibitor (Ki = 0.23 ?M). Reduces inflammatory pain via a cannabinoid receptor-dependent mechanism. Highly efficacious and selective in vivo. Displays no activity at FAAH-2 (IC50 >10 ?M). Tocris Bioscience 4175
      Selective fatty acid amide hydrolase (FAAH) inhibitor (Ki = 0.23 muM). Reduces inflammatory pain via a cannabinoid receptor-dependent mechanism. Highly efficacious and selective in vivo. Displays no activity at FAAH-2 (IC50 >10 muM). Tocris Bioscience 4175

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

Density: 1.3±0.1 g/cm3
Boiling Point: 623.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 330.9±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 117.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 317.66
ACD/KOC (pH 5.5): 1818.28
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 567.39
ACD/KOC (pH 7.4): 3247.73
Polar Surface Area: 67 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 345.0±3.0 cm3

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