ChemSpider 2D Image | PF-04620110 | C21H24N4O4

PF-04620110

  • Molecular FormulaC21H24N4O4
  • Average mass396.440 Da
  • Monoisotopic mass396.179749 Da
  • ChemSpider ID26636682

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1109276-89-2 [RN]
PF-04620110
trans-4-[4-(4-amino-7,8-dihydro-5-oxopyrimido[5,4-f][1,4]oxazepin-6(5H)-yl)phenyl]-cyclohexaneacetic acid
[1109276-89-2] [RN]
{trans-4-[4-(4-Amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl)phenyl]cyclohexyl}acetic acid [ACD/IUPAC Name]
{trans-4-[4-(4-Amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl)phenyl]cyclohexyl}essigsäure [German] [ACD/IUPAC Name]
2-(trans-4-(4-(4-Amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl)phenyl)cyclohexyl)acetic acid
2-(trans-4-(4-(4-Amino-5-oxo-7,8-dihydropyrimido[5,4-f]-[1,4]oxazepin-6(5H)-yl)phenyl)cyclohexyl)acetic acid
2-[(1r,4r)-4-(4-{4-amino-5-oxo-5H,6H,7H,8H-pyrimido[5,4-f][1,4]oxazepin-6-yl}phenyl)cyclohexyl]acetic acid
Acide {trans-4-[4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazépin-6(5H)-yl)phényl]cyclohexyl}acétique [French] [ACD/IUPAC Name]
More...

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

CQ4M18RLJW [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 5863

    • Bio Activity:

      DGAT MedChem Express HY-13009
      Diacylglycerol O-Acyltransferase Tocris Bioscience 5863
      Enzymes Tocris Bioscience 5863
      Metabolism/Protease MedChem Express HY-13009
      Metabolism/Protease; MedChem Express HY-13009
      PF-04620110 is an orally active, selective and potent diglyceride acyltransferase-1 (DGAT1) inhibitor with IC50 of 19 nM. MedChem Express
      PF-04620110 is an orally active, selective and potent diglyceride acyltransferase-1 (DGAT1) inhibitor with IC50 of 19 nM.; IC50 value: 19 nM [1]; Target: DGAT1; PF-04620110 and imipramine (internal standard) were separated using a Hypersil Gold C18 column, with a mixture of acetonitrile and 10 mm ammonium formate (90:10, v/v) as the mobile phase. MedChem Express HY-13009
      Potent and selective DGAT-1 inhibitor (IC50 = 19 nM). Exhibits >1000-fold selectivity for DGAT-1 over DGAT-2, and no significant activity against a range of other enzymes, ion channels and receptors. Reduces plasma triglyceride levels in a rat lipid challenge model. Orally bioavailable. Tocris Bioscience 5863
      Potent and selective DGAT-1 inhibitor; orally bioavailable Tocris Bioscience 5863
      Transferases Tocris Bioscience 5863

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

Density: 1.3±0.1 g/cm3
Boiling Point: 701.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.3±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 105.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 5.92
ACD/KOC (pH 5.5): 71.95
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.15
Polar Surface Area: 119 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 298.9±3.0 cm3

Click to predict properties on the Chemicalize site


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