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ChemSpider 2D Image | Amprenavir | C25H35N3O6S

Amprenavir

  • Molecular FormulaC25H35N3O6S
  • Average mass505.627 Da
  • Monoisotopic mass505.224670 Da
  • ChemSpider ID58532

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(3S)-Tetrahydro-3-furanyl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanyl hydrogen [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbonimidate [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanyl-[(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanyl-hydrogen[(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]kohlenstoffimidat [German] [ACD/IUPAC Name]
(3S)-tetrahydro-3-furyl N-[(1S,2R)-3-(4-amino-N-isobutylbenzenesulfonamido)-1-benzyl-2-hydroxypropyl]carbamate
(3S)-tetrahydrofuran-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
(3S)-Tetrahydrofuran-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
(3S)-Tetrahydrofuran-3-yl-[(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-1-benzyl-2-hydroxypropyl]carbamat [German]
[(1S,2R)]-[3-[[(4-Aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid (3S)-tetrahydro-3-furanyl Ester
[(1S,2R)-3-{[(4-aminophényl)sulfonyl](2-méthylpropyl)amino}-1-benzyl-2-hydroxypropyl]carbamate de (3S)-tétrahydrofuran-3-yle [French]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7751 [DBID]
KVX 478 [DBID]
478 [DBID]
AIDS006080 [DBID]
AIDS-006080 [DBID]
AIDS072901 [DBID]
AIDS-072901 [DBID]
AIDS224017 [DBID]
AIDS-224017 [DBID]
AIDS224024 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Toxicity:

      Organic Compound; Amine; Ether; Amide; Ester; Drug; Antibiotic, Antitubercular; Metabolite; Anti-HIV Agent; HIV Protease Inhibitor; Synthetic Compound Toxin, Toxin-Target Database T3D2863

    • Safety:

      J05AE05 Wikidata Q422198

    • Bio Activity:

      Amprenavir (Agenerase) is a HIV protease inhibitor(Ki=0.6 nM) used to treat HIV infection. MedChem Express
      Amprenavir (Agenerase) is a HIV protease inhibitor(Ki=0.6 nM) used to treat HIV infection.; IC50 Value: 0.6 nM (Ki); Against wild-type clinical HIV isolates:14.6 +/- 12.5 ng/mL (mean +/- SD) [1].; Target: HIV protease; in vitro: Amprenavir has an enzyme inhibition constant (Ki = 0.6 nM) that falls within the Ki range of the other protease inhibitors. MedChem Express HY-17430
      Amprenavir (Agenerase) is a HIV protease inhibitor(Ki=0.6 nM) used to treat HIV infection.;IC50 Value: 0.6 nM (Ki); Against wild-type clinical HIV isolates:14.6 +/- 12.5 ng/mL (mean +/- SD) [1].;Target: HIV protease;In vitro: Amprenavir has an enzyme inhibition constant (Ki = 0.6 nM) that falls within the Ki range of the other protease inhibitors. Amprenavir's in vitro 50% inhibitory concentration (IC50) against wild-type clinical HIV isolates is 14.6 +/- 12.5 ng/mL (mean +/- SD) [1]. Amprenavir had direct inhibitory effects on invasion of Huh-7 hepatocarcinoma cell lines, inhibiting MMP proteolytic activation [2].;In vivo: Amprenavir was able to promote regression of hepatocarcinoma growth in vivo by anti-angiogenetic and overall anti-tumor activities, independently by PI3K/AKT related pathways that at today is one of the more suggestive hypothesis to explain the anti-tumor effects of the different protease inhibitors [2]. Amprenavir efficiently activated PXR and induced PXR targ MedChem Express HY-17430
      Anti-infection MedChem Express HY-17430
      Anti-infection; Metabolism/Protease; MedChem Express HY-17430
      HIV MedChem Express HY-17430
      HIV HIV Protease MedChem Express HY-17430

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: 1.611
Molar Refractivity: 134.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 165.80
ACD/KOC (pH 5.5): 1350.12
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 165.82
ACD/KOC (pH 7.4): 1350.22
Polar Surface Area: 140 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 387.9±5.0 cm3

Click to predict properties on the Chemicalize site


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