ChemSpider 2D Image | PF-04457845 | C23H20F3N5O2

PF-04457845

  • Molecular FormulaC23H20F3N5O2
  • Average mass455.432 Da
  • Monoisotopic mass455.156921 Da
  • ChemSpider ID26390839

More details:






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

1020315-31-4 [RN]
1-Piperidinecarboxamide, N-3-pyridazinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylene]- [ACD/Index Name]
N-(3-Pyridazinyl)-4-(3-{[5-(trifluormethyl)-2-pyridinyl]oxy}benzyliden)-1-piperidincarboxamid [German] [ACD/IUPAC Name]
N-(3-Pyridazinyl)-4-(3-{[5-(trifluoromethyl)-2-pyridinyl]oxy}benzylidene)-1-piperidinecarboxamide [ACD/IUPAC Name]
N-(3-Pyridazinyl)-4-(3-{[5-(trifluorométhyl)-2-pyridinyl]oxy}benzylidène)-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
PF-04457845
[1020315-31-4]
1-Piperidinecarboxamide, n-3-pyridazinyl-4-[[3-[[5-(trifluoromethyl)-2- pyridinyl]oxy]phenyl]methylene]-
289715-28-2 [RN]
CB 300919
More...

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

H4C81M8YYW [DBID]
CCRIS 4693 [DBID]
UNII:H4C81M8YYW [DBID]
UNII-H4C81M8YYW [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-43034]
    • Safety:

      20/21/22 Novochemy [NC-43034]
      20/21/36/37/39 Novochemy [NC-43034]
      GHS07; GHS09 Novochemy [NC-43034]
      H332; H403 Novochemy [NC-43034]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-43034]
      R52/1632 Novochemy [NC-43034]
      Warning Novochemy [NC-43034]
    • Bio Activity:

      Enzymes Tocris Bioscience 6374
      FAAH MedChem Express HY-14376
      Fatty Acid Amide Hydrolase (FAAH) Tocris Bioscience 6374
      Hydrolases Tocris Bioscience 6374
      Neuronal Signaling MedChem Express HY-14376
      Neuronal Signaling; MedChem Express HY-14376
      PF-04457845 is a potent and exquisitely selective inhibitor of FAAH, with an IC50 of 7.2 nM, and both analgesic and antiinflammatory effects in animal studies comparable to naproxen. MedChem Express
      PF-04457845 is a potent and exquisitely selective inhibitor of FAAH, with an IC50 of 7.2 nM, and both analgesic and antiinflammatory effects in animal studies comparable to naproxen.; IC50 value: 7.2 nM; Target: FAAH; It has been well tolerated in human trials even at high dose ranges with no evidence for cognitive dysfunction, and has completed Phase II clinical trials for the treatment of osteoarthritis. MedChem Express HY-14376
      PF-04457845 is a potent and exquisitely selective inhibitor of FAAH, with an IC50 of 7.2 nM, and both analgesic and antiinflammatory effects in animal studies comparable to naproxen.;IC50 value: 7.2 nM;Target: FAAH;It has been well tolerated in human trials even at high dose ranges with no evidence for cognitive dysfunction, and has completed Phase II clinical trials for the treatment of osteoarthritis. From Wikipedia. MedChem Express HY-14376
      Potent and selective irreversible FAAH inhibitor Tocris Bioscience 6374
      Potent and selective irreversible FAAH inhibitor (IC50 = 7.2 nM). Selective for FAAH over a panel of other serine hydrolases. Exhibits efficacy in a rat inflammatory pain model. Orally bioavailable and brain penetrant. Tocris Bioscience 6374

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

Density: 1.4±0.1 g/cm3
Boiling Point: 687.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.3±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 116.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 273.18
ACD/KOC (pH 5.5): 1926.22
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 275.10
ACD/KOC (pH 7.4): 1939.78
Polar Surface Area: 80 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 327.7±3.0 cm3

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