ChemSpider 2D Image | ER819762 | C30H39N3O3

ER819762

  • Molecular FormulaC30H39N3O3
  • Average mass489.649 Da
  • Monoisotopic mass489.299133 Da
  • ChemSpider ID34980852

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(10S)-1'-(3,5-Dimethylbenzyl)-2-ethyl-7,9-dimethoxy-10-methyl-5,10-dihydrospiro[imidazo[1,5-b][2]benzazepine-1,4'-piperidin]-3(2H)-one [ACD/IUPAC Name]
ER819762
Spiro[1H-imidazo[1,5-b][2]benzazepine-1,4'-piperidin]-3(2H)-one, 1'-[(3,5-dimethylphenyl)methyl]-2-ethyl-5,10-dihydro-7,9-dimethoxy-10-methyl-, (10S)- [ACD/Index Name]
(10S)-1'-[(3,5-Dimethylphenyl)methyl]-2-ethyl-5,10-dihydro-7,9-dimethoxy-10-methylspiro[1H-imidazo[1,5-b][2]benzazepine-1,4'-piperidin]-3(2H)-one
(5S)-1'-[(3,5-dimethylphenyl)methyl]-2-ethyl-6,8-dimethoxy-5-methylspiro[5,10-dihydroimidazo[1,5-b][2]benzazepine-3,4'-piperidine]-1-one
[1155773-15-1] [RN]
1155773-15-1 [RN]
ER 819762
ER 819762|ER-819762
ER-819762
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 5924
      Potent EP4 receptor antagonist (IC50 = 59 nM). Suppresses EP4-mediated Th1 differentiation, Th17 cell expansion, and IL-23 secretion by activated dendritic cells. Inhibits Th1 and Th17 cytokine production, suppresses collagen- and GPI-induced arthritis in mice. Attenuates CFA-induced inflammatory pain in rats. Analgesic. Orally bioavailable. Tocris Bioscience 5924
      Potent EP4 receptor antagonist; orally bioavailable Tocris Bioscience 5924
      Prostanoid Receptors Tocris Bioscience 5924

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

Density: 1.2±0.1 g/cm3
Boiling Point: 622.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.1±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 143.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 4.21
ACD/KOC (pH 5.5): 14.05
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 93.96
ACD/KOC (pH 7.4): 313.60
Polar Surface Area: 45 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 406.2±5.0 cm3

Click to predict properties on the Chemicalize site


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