ChemSpider 2D Image | L-161,982 | C32H29F3N4O4S2

L-161,982

  • Molecular FormulaC32H29F3N4O4S2
  • Average mass654.722 Da
  • Monoisotopic mass654.158203 Da
  • ChemSpider ID8136799

More details:

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

147776-06-5 [RN]
2-Thiophenecarboxamide, N-[[4'-[[3-butyl-1,5-dihydro-5-oxo-1-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-4-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]-3-methyl- [ACD/Index Name]
L-161,982
N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-3-methyl-2-thiophenecarboxamide
N-{[4'-({3-Butyl-5-oxo-1-[2-(trifluormethyl)phenyl]-1,5-dihydro-4H-1,2,4-triazol-4-yl}methyl)-2-biphenylyl]sulfonyl}-3-methyl-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-{[4'-({3-Butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,5-dihydro-4H-1,2,4-triazol-4-yl}methyl)-2-biphenylyl]sulfonyl}-3-methyl-2-thiophenecarboxamide [ACD/IUPAC Name]
N-{[4'-({3-Butyl-5-oxo-1-[2-(trifluorométhyl)phényl]-1,5-dihydro-4H-1,2,4-triazol-4-yl}méthyl)-2-biphénylyl]sulfonyl}-3-méthyl-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
N-{[4'-({3-Butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,5-dihydro-4H-1,2,4-triazol-4-yl}methyl)biphenyl-2-yl]sulfonyl}-3-methylthiophene-2-carboxamide
N-{[4'-({3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-4-yl}methyl)-[1,1'-biphenyl]-2-yl]sulfonyl}-3-methylthiophene-2-carboxamide
[147776-06-5] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L-161982 [DBID]
SR 57746A | [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 2514
      EP4 receptor antagonist that is selective over all other members of the prostanoid receptor family (Ki values are 0.024, 0.71, 1.90, 5.10, 5.63, 6.74, 19 and 23 ?M for human EP4, TP, EP3, DP, FP, IP, EP1 and EP2 receptors respectively). Suppresses PGE2-induced bone formation in rats and prevents the nociceptive response induced by misoprostol in formalin-injected mice. Tocris Bioscience 2514
      EP4 receptor antagonist that is selective over all other members of the prostanoid receptor family (Ki values are 0.024, 0.71, 1.90, 5.10, 5.63, 6.74, 19 and 23 ?M for human EP4, TP, EP3, DP, FP, IP, EP1 and EP2 receptors respectively). Suppresses PGE2-induced bone formation in rats and prevents the nociceptive response induced by misoprostol in formalin-injected mice. Tocris Bioscience 2514
      EP4 receptor antagonist that is selective over all other members of the prostanoid receptor family (Ki values are 0.024, 0.71, 1.90, 5.10, 5.63, 6.74, 19 and 23 muM for human EP4, TP, EP3, DP, FP, IP, EP1 and EP2 receptors respectively). Suppresses PGE2-induced bone formation in rats and prevents the nociceptive response induced by misoprostol in formalin-injected mice. Tocris Bioscience 2514
      Prostanoid Receptors Tocris Bioscience 2514
      Selective EP4 receptor antagonist Tocris Bioscience 2514

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: 1.633
Molar Refractivity: 170.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 2666.59
ACD/KOC (pH 5.5): 5270.86
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 275.51
ACD/KOC (pH 7.4): 544.58
Polar Surface Area: 136 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 476.7±7.0 cm3

Click to predict properties on the Chemicalize site


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