ChemSpider 2D Image | Asunaprevir | C35H46ClN5O9S

Asunaprevir

  • Molecular FormulaC35H46ClN5O9S
  • Average mass748.286 Da
  • Monoisotopic mass747.270447 Da
  • ChemSpider ID17235944

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

1,1-dimethylethyl [(1S)-1-{[(2S,4R)-4-(7-chloro-4methoxyisoquinolin-1-yloxy)-2-({(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}carbamoyl)pyrrolidin-1-yl]carbonyl}-2,2-dimethylpropyl]carbamate
3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-4-[(7-chlor-4-methoxy-1-isochinolinyl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-L-prolinamid [German] [ACD/IUPAC Name]
3-Méthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-4-[(7-chloro-4-méthoxy-1-isoquinoléinyl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-L-prolinamide [French] [ACD/IUPAC Name]
3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-L-prolinamide [ACD/IUPAC Name]
630420-16-5 [RN]
Asunaprevir [INN] [USAN] [Wiki]
Asunaprevir [Spanish] [INN]
Asunaprévir [French] [INN]
Asunaprevirum [Latin] [INN]
Cyclopropanecarboxamide, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenyl-, (1R,2S)-
More...

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

9472 [DBID]
BMS-650032 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Anti-infection MedChem Express HY-14434
      Anti-infection; Metabolism/Protease; MedChem Express HY-14434
      Asunaprevir (BMS-650032) is a potent hepatitis C virus (HCV) NS3 protease inhibitor. MedChem Express
      Asunaprevir (BMS-650032) is a potent hepatitis C virus (HCV) NS3 protease inhibitor.; IC50 Value: ; Target: HCV NS3/4A Protease; HCV; Asunaprevir (BMS-650032) is a potent hepatitis C virus (HCV) non-structural protein protease inhibitor currently in Phase III clinical trials for the treatment of HCV infection. MedChem Express HY-14434
      Asunaprevir (BMS-650032) is a potent hepatitis C virus (HCV) NS3 protease inhibitor.;IC50 Value: ;Target: HCV NS3/4A Protease; HCVAsunaprevir (BMS-650032) is a potent hepatitis C virus (HCV) non-structural protein protease inhibitor currently in Phase III clinical trials for the treatment of HCV infection. A rugged and accurate LC-MS/MS method was developed and validated for the quantitation of asunaprevir in rat, dog, monkey, rabbit and mouse plasma. A systematic method screening and optimization strategy was applied to achieve optimized mass spectrometry, chromatography, and sample extraction conditions. Asunaprevir-resistant replicons remained susceptible to an NS5A replication complex inhibitor, consistent with a role for asunaprevir in combination therapies. MedChem Express HY-14434
      HCV MedChem Express HY-14434
      HCV HCV NS3/4A Protease MedChem Express HY-14434

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: 1.616
Molar Refractivity: 190.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 40.56
ACD/KOC (pH 5.5): 266.12
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 4.08
ACD/KOC (pH 7.4): 26.76
Polar Surface Area: 191 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 544.2±5.0 cm3

Click to predict properties on the Chemicalize site


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