ChemSpider 2D Image | SB239063 | C20H21FN4O2

SB239063

  • Molecular FormulaC20H21FN4O2
  • Average mass368.405 Da
  • Monoisotopic mass368.164856 Da
  • ChemSpider ID21475081

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

193551-21-2 [RN]
Cyclohexanol, 4-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1H-imidazol-1-yl]-, trans- [ACD/Index Name]
HII3DC8CPI
MFCD03792786
SB 239063
SB239063
SB-239063
trans-1-(4-Hydroxycyclohexyl)-4-(4-fluorophenyl)-5-(2-methoxypyridimidin-4-yl)imidazole
trans-4-[4-(4-Fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1H-imidazol-1-yl]cyclohexanol [ACD/IUPAC Name]
trans-4-[4-(4-Fluorophényl)-5-(2-méthoxy-4-pyrimidinyl)-1H-imidazol-1-yl]cyclohexanol [French] [ACD/IUPAC Name]
More...

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

UN2811 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold for research purposes under agreement from GlaxoSmithKline Tocris Bioscience 1962

    • Chemical Class:

      A member of the class of imidazoles carrying 4-hydroxycyclohexyl, 4-fluorophenyl and 2-methoxypyrimidin-4-yl substituents at positions 1, 4 and 5 respectively. ChEBI CHEBI:90681

    • Bio Activity:

      Enzymes Tocris Bioscience 1962
      Kinases Tocris Bioscience 1962
      MAPK MedChem Express HY-11068
      MAPK ; MedChem Express HY-11068
      MAPK Family Tocris Bioscience 1962
      p38 MAPK MedChem Express HY-11068
      Potent and selective p38 MAP kinase inhibitor (IC50 = 44 nM for p38?). Displays > 220-fold selectivity over ERK, JNK1 and other kinases; ~ 3-fold more selective than SB 203580 (Cat. Nos. 1202 and 1402 ). Reduces inflammatory cytokine production and is neuroprotective following oral administration in vivo. Tocris Bioscience 1962
      Potent and selective p38 MAP kinase inhibitor (IC50 = 44 nM for p38?). Displays > 220-fold selectivity over ERK, JNK1 and other kinases; ~ 3-fold more selective than SB 203580 (Cat. Nos. 1202 and 1402). Reduces inflammatory cytokine production and is neuroprotective following oral administration in vivo. Tocris Bioscience 1962
      Potent and selective p38 MAP kinase inhibitor (IC50 = 44 nM for p38alpha). Displays > 220-fold selectivity over ERK, JNK1 and other kinases; ~ 3-fold more selective than SB 203580 (Cat. Nos. 1202 and 1402). Reduces inflammatory cytokine production and is neuroprotective following oral administration in vivo. Tocris Bioscience 1962
      Potent, selective p38 MAPK inhibitor; orally active Tocris Bioscience 1962
      SB 239063 is a potent and selective p38 MAPK inhibitor (IC50 = 44 nM for p38?). MedChem Express HY-11068

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

Density: 1.4±0.1 g/cm3
Boiling Point: 594.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.5±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 99.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 85.11
ACD/KOC (pH 5.5): 836.20
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.63
ACD/KOC (pH 7.4): 841.35
Polar Surface Area: 73 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 271.1±7.0 cm3

Click to predict properties on the Chemicalize site


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