ChemSpider 2D Image | BI 224436 | C27H26N2O4

BI 224436

  • Molecular FormulaC27H26N2O4
  • Average mass442.506 Da
  • Monoisotopic mass442.189270 Da
  • ChemSpider ID32698770
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-[4-(2,3-Dihydropyrano[4,3,2-de]chinolin-7-yl)-2-methyl-3-chinolinyl][(2-methyl-2-propanyl)oxy]essigsäure [German] [ACD/IUPAC Name]
(2S)-[4-(2,3-Dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methyl-3-quinolinyl][(2-methyl-2-propanyl)oxy]acetic acid [ACD/IUPAC Name]
1155419-89-8 [RN]
3-Quinolineacetic acid, 4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-α-(1,1-dimethylethoxy)-2-methyl-, (αS)- [ACD/Index Name]
Acide (2S)-[4-(2,3-dihydropyrano[4,3,2-de]quinoléin-7-yl)-2-méthyl-3-quinoléinyl][(2-méthyl-2-propanyl)oxy]acétique [French] [ACD/IUPAC Name]
BI 224436 [Wiki]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Anti-infection MedChem Express HY-18595
      Anti-infection; Metabolism/Protease; MedChem Express HY-18595
      BI 224436 is a novel HIV-1 non-catalytic-site integrase inhibitor; has antiviral EC50s of <15 nM against different HIV-1 laboratory strains and cellular cytotoxicity of >90 ?M.; IC50 value: < 15 nM(EC50, HIV-1) [1] [2]; Target: HIV integrase inhibitor; in vitro: BI 224436 also has a low, ?2.1-fold decrease in antiviral potency in the presence of 50% human serum and, by virtue of a steep dose-response curve slope, exhibits serum-shifted EC95 values ranging between 22 and 75 nM. MedChem Express HY-18595
      HIV MedChem Express HY-18595
      HIV HIV Integrase MedChem Express HY-18595

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

Density: 1.3±0.1 g/cm3
Boiling Point: 631.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 335.9±31.5 °C
Index of Refraction: 1.661
Molar Refractivity: 128.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 1.47
ACD/KOC (pH 5.5): 6.64
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.15
Polar Surface Area: 82 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 346.4±3.0 cm3

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