ChemSpider 2D Image | A-317491 | C33H27NO8

A-317491

  • Molecular FormulaC33H27NO8
  • Average mass565.569 Da
  • Monoisotopic mass565.173645 Da
  • ChemSpider ID8005131

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2,4-Benzenetricarboxylic acid, 5-[[[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]amino]carbonyl]- [ACD/Index Name]
475205-49-3 [RN]
5-{(3-Phenoxybenzyl)[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]carbamoyl}-1,2,4-benzenetricarboxylic acid [ACD/IUPAC Name]
5-{(3-Phenoxybenzyl)[(1S)-1,2,3,4-tetrahydro-1-naphthalinyl]carbamoyl}-1,2,4-benzoltricarbonsäure [German] [ACD/IUPAC Name]
5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
A-317491
Acide 5-{(3-phénoxybenzyl)[(1S)-1,2,3,4-tétrahydro-1-naphtalényl]carbamoyl}-1,2,4-benzènetricarboxylique [French] [ACD/IUPAC Name]
H327N08IPV
(S)-5-((3-phenoxybenzyl)(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)benzene-1,2,4-tricarboxylic acid
[3H]A 317491
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      A-317491 is a non-nucleotide P2X3 and P2X2/3 receptor antagonist, which inhibits calcium flux mediated by the receptors. MedChem Express http://www.medchemexpress.com/gsk269962a.html
      A-317491 is a non-nucleotide P2X3 and P2X2/3 receptor antagonist, which inhibits calcium flux mediated by the receptors. ;IC50 value: ;Target: P2X2/3;It is known that P2X3 and P2X2/3 receptors stimulate the pronociceptive effects of ATP upon activation. Studies indicate that the P2X3 receptor is implicated in both neuropathic and inflammatory pain. P2X3 receptor is a promising target for therapeutic intervention in cancer patients for pain management. MedChem Express HY-15568
      Membrane Transporter/Ion Channel; MedChem Express HY-15568
      P2X Receptor MedChem Express HY-15568

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

Density: 1.5±0.1 g/cm3
Boiling Point: 840.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.0±3.0 kJ/mol
Flash Point: 462.0±34.3 °C
Index of Refraction: 1.713
Molar Refractivity: 151.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.71
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 83.0±5.0 dyne/cm
Molar Volume: 385.5±5.0 cm3

Click to predict properties on the Chemicalize site


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