ChemSpider 2D Image | Tipranavir | C31H33F3N2O5S

Tipranavir

  • Molecular FormulaC31H33F3N2O5S
  • Average mass602.664 Da
  • Monoisotopic mass602.206238 Da
  • ChemSpider ID10482313
  • defined stereocentres - 2 of 2 defined stereocentres


More details:



Featured data source



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

[R-(R*,R*)]-N-[3-[1-[5,6-Dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl]propyl]phenyl]-5-(trifluoromethyl)-2-pyridinesulfonamide
174484-41-4 [RN]
191150-83-1 [RN]
2-Pyridinesulfonamide, N-(3-((1R)-1-((6R)-5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl)propyl)phenyl)-5-(trifluoromethyl)-
2-Pyridinesulfonamide, N-[3-[(1R)-1-[(6R)-5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl]propyl]phenyl]-5-(trifluoromethyl)- [ACD/Index Name]
7774
aptivus [Trade name]
N-(3-{(1R)-1-[(6R)-4-Hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)-5-(trifluormethyl)-2-pyridinsulfonamid [German] [ACD/IUPAC Name]
N-(3-{(1R)-1-[(6R)-4-Hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)-5-(trifluormethyl)pyridin-2-sulfonamid
N-(3-{(1R)-1-[(6R)-4-Hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)-2-pyridinesulfonamide [ACD/IUPAC Name]
More...

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

CHEBI:63628 [DBID]
U 140690 [DBID]
PNU 140690 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      J05AE09 Wikidata Q423404
    • Chemical Class:

      A pyridine-2-sulfonamide substituted at C-5 by a trifluoromethyl group and at the sulfonamide nitrogen by a dihydropyrone-containing <ital>m</ital>-tolyl substituent. It is an HIV-1 protease inhibitor . ChEBI CHEBI:63628
    • Bio Activity:

      Anti-infection MedChem Express HY-15148
      Anti-infection; Metabolism/Protease; MedChem Express HY-15148
      HIV MedChem Express HY-15148
      HIV HIV Protease MedChem Express HY-15148
      Tipranavir, a nonpeptidic HIV protease inhibitor (NPPI), inhibits the enzymatic activity and dimerization of HIV-1 protease, exerts potent activity against multi-PI-resistant HIV-1 isolates. MedChem Express
      Tipranavir, a nonpeptidic HIV protease inhibitor (NPPI), inhibits the enzymatic activity and dimerization of HIV-1 protease, exerts potent activity against multi-PI-resistant HIV-1 isolates.; IC50 value:; Target: HIV Protease MedChem Express HY-15148
      Tipranavir, a nonpeptidic HIV protease inhibitor (NPPI), inhibits the enzymatic activity and dimerization of HIV-1 protease, exerts potent activity against multi-PI-resistant HIV-1 isolates.;IC50 value:;Target: HIV Protease MedChem Express HY-15148

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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 384.6±35.7 °C
Index of Refraction: 1.579
Molar Refractivity: 152.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 5308.76
ACD/KOC (pH 5.5): 7496.92
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 7.54
ACD/KOC (pH 7.4): 10.65
Polar Surface Area: 114 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 459.0±3.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form