ChemSpider 2D Image | AM966 | C27H23ClN2O5

AM966

  • Molecular FormulaC27H23ClN2O5
  • Average mass490.935 Da
  • Monoisotopic mass490.129547 Da
  • ChemSpider ID26324850

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[1,1'-Biphenyl]-4-acetic acid, 4'-[4-[[[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl]amino]-3-methyl-5-isoxazolyl]- [ACD/Index Name]
{4'-[4-({[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]-[1,1'-biphenyl]-4-yl}acetic acid
{4'-[4-({[(1R)-1-(2-Chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]-4-biphenylyl}acetic acid [ACD/IUPAC Name]
{4'-[4-({[(1R)-1-(2-Chlorphenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]-4-biphenylyl}essigsäure [German] [ACD/IUPAC Name]
1228690-19-4 [RN]
2-{4'-[4-({[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]-[1,1'-biphenyl]-4-yl}acetic acid
Acide {4'-[4-({[(1R)-1-(2-chlorophényl)éthoxy]carbonyl}amino)-3-méthyl-1,2-oxazol-5-yl]-4-biphénylyl}acétique [French] [ACD/IUPAC Name]
AM 966
AM966
AM-966
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      AM966 is a high affinity, selective, oral LPA1 (lysophosphatidic acid receptor, IC50=17 nM) antagonist, with selectivity for this receptor over the other LPA receptors. MedChem Express http://www.medchemexpress.com/retaspimycin.html, HY-15277
      AM966 is a high affinity, selective, oral LPA1 (lysophosphatidic acid receptor, IC50=17 nM) antagonist, with selectivity for this receptor over the other LPA receptors. ;IC50value: 17 nM;Target: LPA1 receptor;In vitro, AM966 inhibited LPA-stimulated intracellular calcium release (IC(50)= 17 nM) from Chinese hamster ovary cells stably expressing human LPA(1) receptors and inhibited LPA-induced chemotaxis (IC(50)= 181 nM) of human IMR-90 lung fibroblasts expressing LPA(1) receptors. AM966 demonstrated a good pharmacokinetic profile following oral dosing in mice. In the mouse, AM966 reduced lung injury, vascular leakage, inflammation and fibrosis at multiple time points following intratracheal bleomycin instillation. AM966 also decreased lactate dehydrogenase activity and tissue inhibitor of metalloproteinase-1, transforming growth factor beta1, hyaluronan and matrix metalloproteinase-7, in bronchoalveolar lavage fluid. Anti-inflammatory agents. MedChem Express HY-15277
      GPCR/G protein MedChem Express HY-15277
      GPCR/G protein; MedChem Express HY-15277
      LPL Receptor MedChem Express HY-15277

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

Density: 1.3±0.1 g/cm3
Boiling Point: 659.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 352.6±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 131.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 575.03
ACD/KOC (pH 5.5): 1391.35
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 9.68
ACD/KOC (pH 7.4): 23.43
Polar Surface Area: 102 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 369.1±3.0 cm3

Click to predict properties on the Chemicalize site


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