ChemSpider 2D Image | AVE-0991 | C29H32N4O5S2

AVE-0991

  • Molecular FormulaC29H32N4O5S2
  • Average mass580.718 Da
  • Monoisotopic mass580.181396 Da
  • ChemSpider ID8027437

More details:

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

2-Thiophenesulfonamide, N-[(ethylamino)carbonyl]-3-[4-[(5-formyl-4-methoxy-2-phenyl-1H-imidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)- [ACD/Index Name]
304462-19-9 [RN]
AVE-0991
N-(Ethylcarbamoyl)-3-{4-[(5-formyl-4-methoxy-2-phenyl-1H-imidazol-1-yl)methyl]phenyl}-5-isobutyl-2-thiophenesulfonamide [ACD/IUPAC Name]
N-(Éthylcarbamoyl)-3-{4-[(5-formyl-4-méthoxy-2-phényl-1H-imidazol-1-yl)méthyl]phényl}-5-isobutyl-2-thiophènesulfonamide [French] [ACD/IUPAC Name]
N-(Ethylcarbamoyl)-3-{4-[(5-formyl-4-methoxy-2-phenyl-1H-imidazol-1-yl)methyl]phenyl}-5-isobutyl-2-thiophensulfonamid [German] [ACD/IUPAC Name]
[304462-19-9] [RN]
1-ethyl-3-[[3-[4-[(5-formyl-4-methoxy-2-phenyl-1-imidazolyl)methyl]phenyl]-5-(2-methylpropyl)-2-thiophenyl]sulfonyl]urea
1-ethyl-3-[3-[4-[(5-formyl-4-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylurea
2-THIOPHENESULFONAMIDE,N-[(ETHYLAMINO)CARBONYL]-3-[4-[(5-FORMYL-4-METHOXY-2-PHENYL-1H-IMIDAZOL-1-YL)METHYL]PHENYL]-5-(2-METHYLPROPYL)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

68JR6NCI7I [DBID]
UNII:68JR6NCI7I [DBID]
UNII-68JR6NCI7I [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Angiotensin Receptor MedChem Express HY-15778
      AVE 0991 is a nonpeptide Ang-(1-7) receptor Mas agonist, represents an important step for exploration of the effects of Ang-(1-7) and testing of its potential as a cardiovascular drug. MedChem Express
      AVE 0991 is a nonpeptide Ang-(1-7) receptor Mas agonist, represents an important step for exploration of the effects of Ang-(1-7) and testing of its potential as a cardiovascular drug.; IC50 Value: ; Target: Ang-(1-7) receptor Mas; Angiotensin-II receptor ; in vitro: AVE 0991 and unlabeled Ang-(1-7) competed for high-affinity binding of [125I]-Ang-(1-7) to bovine aortic endothelial cell membranes with IC50 values of 21+/-35 and 220+/-280 nmol/L, respectively. MedChem Express HY-15778
      AVE 0991 is a nonpeptide Ang-(1-7) receptor Mas agonist, represents an important step for exploration of the effects of Ang-(1-7) and testing of its potential as a cardiovascular drug.;IC50 Value: ;Target: Ang-(1-7) receptor Mas; Angiotensin-II receptor ;In vitro: AVE 0991 and unlabeled Ang-(1-7) competed for high-affinity binding of [125I]-Ang-(1-7) to bovine aortic endothelial cell membranes with IC50 values of 21+/-35 and 220+/-280 nmol/L, respectively. Peak concentrations of NO and O2- release byAVE 0991 and Ang-(1-7) (both 10 micromol/L) were not significantly different (NO: 295+/-20 and 270+/-25 nmol/L; O2-: 18+/-2 and 20+/-4 nmol/L). However, the released amount of bioactive NO was approximately 5 times higher for AVE 0991 in comparison to Ang-(1-7). The selective Ang-(1-7) antagonist [D-Ala(7)]-Ang-(1-7) inhibited the AVE 0991-induced NO and O2- production by approximately 50%. A similar inhibition level was observed for the Ang II AT1 receptor antagonist EXP 3174 [1]. AVE MedChem Express HY-15778
      GPCR/G protein MedChem Express HY-15778
      GPCR/G protein; MedChem Express HY-15778

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 159.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 121.71
ACD/KOC (pH 5.5): 585.20
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 12.15
ACD/KOC (pH 7.4): 58.42
Polar Surface Area: 156 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 441.9±7.0 cm3

Click to predict properties on the Chemicalize site


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