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Antiviral API
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Cobicistat
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 1004316-88-4 |
| Description | Cobicistat is a potent inhibitor of cytochrome P450 3A enzymes, including the important CYP3A4 subtype. It also inhibits intestinal transport proteins, increasing the overall absorption of several HIV medications, including atazanavir, darunavir and tenofovir alafenamide fumarate. |
Product Information
| Synonyms | Cobicistat, GS-9350; GS 9350; GS9350 |
| IUPAC Name | 1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate |
| Molecular Weight | 776.028 |
| Molecular Formula | C40H53N7O5S2 |
| Canonical SMILES | CC(C)C1=NC(=CS1)CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(CCC(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5 |
| InChI | InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1 |
| InChIKey | ZCIGNRJZKPOIKD-CQXVEOKZSA-N |
| Boiling Point | 974.5±65.0 °C at 760 mmHg |
| Melting Point | 87-105°C |
| Flash Point | 543.2±34.3 °C |
| Purity | 0.99 |
| Density | 1.2±0.1 g/cm3 |
| Solubility | In Vitro: DMSO : 250 mg/mL(322.16 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 2.08 mg/mL (2.68 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: ≥ 2.08 mg/mL (2.68 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.08 mg/mL (2.68 mM); Clear solution |
| Appearance | off-white solid |
| Application | Anti-HIV Agents |
| Storage | Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month |
| Complexity | 1120 |
| Exact Mass | 775.35496016 |
| Index Of Refraction | 1.595 |
| In Vitro | Cobicistat (GS-9350) is a potent and selective human cytochrome P450 3A (CYP3A) enzyme inhibitor that acts as a drug enhancer. The GS-9350 rejects CYP3A with an IC50 spectral range of 30 nM to 285 nM. Compared to ritonavir, GS-9350 lacks anti-HIV activity, with IC50>30 μM in HIV-1 protease and EC50>30 μM in MT-2 HIV infection tests, and is therefore more suitable for enhancing antibody-HIV drugs without the risk of selecting potentially drug-resistant HIV variants. GS-9350 shows the potential for reduced drug interactions and may have potential tolerability improvements over ritonavir. Cobicistat is a novel cytochrome P450 3A4 inhibitor used in advanced clinical evaluation as a drug enhancer for antiretroviral drugs. It lacks significant anti-HIV activity and is more selective than ritonavir in its enzyme inhibition. |
| PSA | 194.50000 |
| Target | Cytochrome P450; HIV |
| Vapor Pressure | 0.0±0.3 mmHg at 25°C |
| XLogP3-AA | 5.7 |
