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Antiviral API
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Atazanavir
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 198904-31-3 |
| Description | Atazanavir is a novel and potent azapeptide protease inhibitor that specifically inhibits the human immunodeficiency virus type 1 (HIV-1) protease enzyme with inhibition constant Ki of 66 nmol/L and also inhibits the viral replication of HIV-1 with 50% effective concentration EC50 ranging from 2.6 to 5.3 nmol/L. Atazanavir binds to HIV-1 protease preventing the cleavage of gag and gag-pol polyproteins, which results in the formation of immature virions in HIV-1-infected cells. Atazanavir has a different C-2 symmetric chemical structure and a generally greater antiretroviral potency in various HIV strains compared to other protease inhibitors, including indinavir, nelfinavir, ritonavir, saquinavir and amprenavir. |
Product Information
| Synonyms | Atazanavir ; Reyataz ; Atazanavir sulfate ; CGP75136 ; CGP75176 ; CGP75355 ; BMS232632 ; CGP 73547 ; CGP 75136 ; CGP 75176 ; CGP 75355 ; CGP-73547 ; CGP-75136 ; CGP-75176 ; CGP-75355 ; BMS 232632 ; BMS-232632 ; BMS-232632-05 ; C413408 |
| Molecular Weight | 704.869 |
| Molecular Formula | C38H52N6O7 |
| Canonical SMILES | CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC |
| InChI | InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1 |
| InChIKey | AXRYRYVKAWYZBR-GASGPIRDSA-N |
| Melting Point | 207-209°C |
| Purity | 0.98 |
| Density | 1.2±0.1 g/cm3 |
| Solubility | In Vitro: DMSO : 166mg/mL(206.74 mM;Need ultrasonic) H2O : < 0.1 mg/mL (insoluble) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 2.5 mg/mL (3.11 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: ≥≥ 2.5 mg/mL (3.11 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.5 mg/mL (3.11 mM); Clear solution |
| Appearance | Solid powder |
| Storage | Store at -20°C |
| Complexity | 1110 |
| Exact Mass | 704.389771 |
| Index Of Refraction | 1.562 |
| PSA | 171.22000 |
| Target | HIV; HIV Protease; SARS-CoV; Cytochrome P450; P-glycoprotein |
| XLogP3-AA | 5.6 |
