ChemSpider 2D Image | MF498 | C32H33N3O7S

MF498

  • Molecular FormulaC32H33N3O7S
  • Average mass603.685 Da
  • Monoisotopic mass603.203918 Da
  • ChemSpider ID13090162

More details:






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

6K32LCR80R
915191-42-3 [RN]
Benzeneacetamide, N-[[[4-(5,9-diethoxy-6,8-dihydro-6-oxo-7H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methyl]sulfonyl]-2-methoxy- [ACD/Index Name]
MF498
MF-498
N-{[4-(5,9-Diethoxy-6-oxo-6,8-dihydro-7H-pyrrolo[3,4-g]chinolin-7-yl)-3-methylbenzyl]sulfonyl}-2-(2-methoxyphenyl)acetamid [German] [ACD/IUPAC Name]
N-{[4-(5,9-Diéthoxy-6-oxo-6,8-dihydro-7H-pyrrolo[3,4-g]quinoléin-7-yl)-3-méthylbenzyl]sulfonyl}-2-(2-méthoxyphényl)acétamide [French] [ACD/IUPAC Name]
N-{[4-(5,9-Diethoxy-6-oxo-6,8-dihydro-7H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylbenzyl]sulfonyl}-2-(2-methoxyphenyl)acetamide [ACD/IUPAC Name]
C-[4-(5,9-diethoxy-6-oxo-6,8-dihydro-pyrrolo[3,4-g]quinolin-7-yl)-3-methyl-phenyl]-N-[2-(2-methoxy-phenyl)-acetyl]-methanesulfonamide
C528911
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      GPCR/G protein MedChem Express HY-10794
      GPCR/G protein; MedChem Express HY-10794
      MF498 is a novel and selective E prostanoid receptor 4 (EP4 receptor) antagonist, displayed strong binding affinity for the EP4 receptor with Ki of 0.7 nM. MedChem Express
      MF498 is a novel and selective E prostanoid receptor 4 (EP4 receptor) antagonist, displayed strong binding affinity for the EP4 receptor with Ki of 0.7 nM.; Ki value: 0.7 nM; Target: EP4 receptor; in vitro: MF498 also displays a relatively good selectivity over other prostanoid receptors, does not compromise the mucosal integrity in the gastrointestinal tract.MF498 inhibits PGE2-stimulated cAMP accumulation in a dose-dependent manner with IC50 values of 1.7 and 17 nM in the absence and presence of 10% serum, respectively. MedChem Express HY-10794
      MF498 is a novel and selective E prostanoid receptor 4 (EP4 receptor) antagonist, displayed strong binding affinity for the EP4 receptor with Ki of 0.7 nM.Ki value: 0.7 nM;Target: EP4 receptor;In vitro: MF498 also displays a relatively good selectivity over other prostanoid receptors, does not compromise the mucosal integrity in the gastrointestinal tract.MF498 inhibits PGE2-stimulated cAMP accumulation in a dose-dependent manner with IC50 values of 1.7 and 17 nM in the absence and presence of 10% serum, respectively. ;In vivo: MF498 relieves joint inflammation and pain in rodent models of rheumatoid and osteoarthritis. MF498 on inflammation in adjuvant-induced arthritis (AIA), a rat model for rheumatoid arthritis (RA), and joint pain in a guinea pig model of iodoacetate-induced osteoarthritis (OA). MedChem Express HY-10794
      Prostaglandin Receptor MedChem Express HY-10794

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 162.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 34.70
ACD/KOC (pH 5.5): 167.64
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 10.73
ACD/KOC (pH 7.4): 51.82
Polar Surface Area: 133 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 455.9±3.0 cm3

Click to predict properties on the Chemicalize site






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