ChemSpider 2D Image | Atazanavir | C38H52N6O7

Atazanavir

  • Molecular FormulaC38H52N6O7
  • Average mass704.856 Da
  • Monoisotopic mass704.389771 Da
  • ChemSpider ID130642

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(3S-(3R*,8R*,9R*,12R*))-3,12-Bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-2,5,6,10,13-pentaazatetradecanedioic acid Dimethyl Ester
(3S,8S,9S,12S)-3,12-Bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-2,5,6,10,13-pentaazatetradecanedioic acid Dimethyl Ester
{(5S,10S,11S,14S)-11-Benzyl-10-hydroxy-15,15-diméthyl-5-(2-méthyl-2-propanyl)-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl]-2-oxa-4,7,8,12-tétraazahexadécan-14-yl}carbamate de méthyle [French] [ACD/IUPAC Name]
1,14-Dimethyl (3S,8S,9S,12S)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate
198904-31-3 [RN]
Atazanavir [USAN] [Wiki]
atazanavirum [Latin] [INN]
BMS-232632-05
butanoic acid, 2-[(methoxycarbonyl)amino]-3,3-dimethyl-, 2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-1-oxobutyl]amino]-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazi
Butanoic acid, 2-[(methoxycarbonyl)amino]-3,3-dimethyl-, 2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-1-oxobutyl]amino]-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazi de, (2S)- [ACD/Index Name]
More...

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

8181 [DBID]
BMS-232632 [DBID]
AIDS057755 [DBID]
AIDS-057755 [DBID]
BMS 232632 [DBID]
CGP 73547 [DBID]
CGP-73547 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      J05AE08 Wikidata Q423467

    • Target Organs:

      HIV Protease inhibitor TargetMol T0100L

    • Chemical Class:

      A heavily substituted carbohydrazide that is an antiretroviral drug of the protease inhibitor (PI) class used to treat infection of human immunodeficiency virus (HIV). ChEBI CHEBI:37924

    • Bio Activity:

      Anti-infection MedChem Express HY-17367
      Anti-infection; Metabolism/Protease; MedChem Express HY-17367
      Atazanavir(BMS-232632) is an highly potent HIV-1 protease inhibitor. MedChem Express
      Atazanavir(BMS-232632) is an highly potent HIV-1 protease inhibitor.; IC50 value:; Target: HIV-1 protease inhibitor; Atazanavir sulfate is a sulfate salt form of atazanavir that is an highly potent HIV-1 protease inhibitor. MedChem Express HY-17367
      Atazanavir(BMS-232632) is an highly potent HIV-1 protease inhibitor.;IC50 value:;Target: HIV-1 protease inhibitorAtazanavir sulfate is a sulfate salt form of atazanavir that is an highly potent HIV-1 protease inhibitor. It has a pharmacokinetic profile that supports once-daily dosing and has demonstrated a unique resistance profile and superior virologic potency compared with other antiretrovirals in vitro. In subjects with HIV, atazanavir (400 mg once daily) produced rapid and sustained improvements in viral load and CD4 counts in both antiretroviral-naive as well as previously treated patients when used in combination with dual nucleoside reverse transcriptase inhibitor (NRTI) treatment [1].After intravenous (iv), oral (po) and intraportal (ip) administration of ATV at a dosage of 7 mg/kg, AUCs in HL rats were 12.41, 5.24 and 8.89 microg/mLh, respectively, and were significantly higher than those in control rats (4.09, 1.70 and 3.38 microg/mLh). Despite the decrease of distrib MedChem Express HY-17367
      HIV MedChem Express HY-17367
      HIV HIV Protease MedChem Express HY-17367
      HIV Protease TargetMol T0100L
      Proteases/Proteasome; Microbiology & Virology TargetMol T0100L

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.562
Molar Refractivity: 194.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1654.44
ACD/KOC (pH 5.5): 6745.31
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1883.23
ACD/KOC (pH 7.4): 7678.09
Polar Surface Area: 171 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 597.9±3.0 cm3

Click to predict properties on the Chemicalize site


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