ChemSpider 2D Image | PF-8380 | C22H21Cl2N3O5

PF-8380

  • Molecular FormulaC22H21Cl2N3O5
  • Average mass478.325 Da
  • Monoisotopic mass477.085815 Da
  • ChemSpider ID28537404

More details:

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

(3,5-Dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
(3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
1144035-53-9 [RN]
1-Piperazinecarboxylic acid, 4-[3-(2,3-dihydro-2-oxo-6-benzoxazolyl)-3-oxopropyl]-, (3,5-dichlorophenyl)methyl ester [ACD/Index Name]
3,5-Dichlorbenzyl-4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
3,5-Dichlorobenzyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
4-[3-Oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]-1-pipérazinecarboxylate de 3,5-dichlorobenzyle [French] [ACD/IUPAC Name]
PF-8380
[1144035-53-9] [RN]
103616-89-3 [RN]
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Autotaxin Tocris Bioscience 4078
      Enzymes Tocris Bioscience 4078
      Esterases Tocris Bioscience 4078
      Metabolic Enzyme/Protease; MedChem Express HY-13344
      Others MedChem Express HY-13344
      PDE MedChem Express HY-13344
      PF-8380 is a potent and specific autotaxin inhibitor with an IC50 value of 2.8 nM. MedChem Express http://www.medchemexpress.com/ZM-336372.html, HY-13344
      Potent autotaxin inhibitor Tocris Bioscience 4078
      Potent autotaxin inhibitor (IC50 = 2.8 nM in isolated enzyme assay; 101 nM in human whole blood). Modulates lysophosphatidic acid (LPA) levels in vivo and in vitro by directly inhibiting autotaxin; re duces LPA levels both in plasma and at site of inflammation. Orally available. Tocris Bioscience 4078
      Potent autotaxin inhibitor (IC50 = 2.8 nM in isolated enzyme assay; 101 nM in human whole blood). Modulates lysophosphatidic acid (LPA) levels in vivo and in vitro by directly inhibiting autotaxin; reduces LPA levels both in plasma and at site of inflammation. Decreases leptin-induced MMP13 expression, in vitro. Orally available. Tocris Bioscience 4078
      Potent autotaxin inhibitor (IC50 = 2.8 nM in isolated enzyme assay; 101 nM in human whole blood). Modulates lysophosphatidic acid (LPA) levels in vivo and in vitro by directly inhibiting autotaxin; reduces LPA levels both in plasma and at site of inflammation. Orally available. Tocris Bioscience 4078

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 117.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 79.05
ACD/KOC (pH 5.5): 456.93
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 491.95
ACD/KOC (pH 7.4): 2843.57
Polar Surface Area: 88 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 337.0±3.0 cm3

Click to predict properties on the Chemicalize site


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