-
Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
- Dengue virus
- Endogenous Metabolite
- Enterovirus (EV)
- Epstein-Barr virus (EBV)
- Filovirus
- Flavivirus
- HCV Protease
- Hepatitis B Virus (HBV)
- Hepatitis C Virus (HCV)
- Herpes simplex Virus (HSV)
- HIF/HIF Prolyl-Hydroxylase
- HIV Integrase
- HIV Protease
- Human immunodeficiency Virus (HIV)
- Human papillomavirus (HPV)
- Influenza Virus
- Nipah virus
- Orthopoxvirus
- Others
- Rabies virus (RABV)
- Respiratory syncytial Virus (RSV)
- Reverse Transcriptases (RTs)
- SARS-CoV
- Tobacco mosaic virus (TMV)
- Vesicular stomatitis virus (VSV)
- Virus Protease
- West Nile virus
- Antiviral intermediates
Saquinavir
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| Category | HIV Protease |
| CAS | 127779-20-8 |
| Description | An HIV protease inhibitor. It is often used in combination with ritonavir or lopinavir/ritonavir for HIV/AIDS infection therapy. |
Product Information
| Synonyms | Invirase; Fortovase; saguinavir; Ro 31-8959; Ro 31 8959; Ro318959 |
| IUPAC Name | (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide |
| Molecular Weight | 670.8 |
| Molecular Formula | C38H50N6O5 |
| Canonical SMILES | CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O |
| InChI | InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1 |
| InChIKey | QWAXKHKRTORLEM-UGJKXSETSA-N |
| Boiling Point | 1015°C at 760 mmHg |
| Melting Point | 91.5°C |
| Flash Point | 567.7°C |
| Purity | ≥98% |
| Density | 1.3±0.1 g/cm3 |
| Solubility | In Vitro: DMSO: 100 mg/mL (149.07 mM; Need ultrasonic) In Vivo: 1.Add each solvent one by one: 10% DMSO >> 90% (20% SBE-β-CD in saline) Solubility: ≥ 2.5 mg/mL (3.73 mM); Clear solution 2.Add each solvent one by one: 10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline Solubility: ≥ 2.5 mg/mL (3.73 mM); Clear solution 3.Add each solvent one by one: 10% DMSO >> 90% corn oil Solubility: ≥ 2.5 mg/mL (3.73 mM); Clear solution |
| Appearance | White to off-white (Solid) |
| Application | HIV Protease Inhibitors |
| Storage | Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month |
| Complexity | 1140 |
| Exact Mass | 670.38426872 |
| Index Of Refraction | 1.646 |
| In Vitro | Saquinavir is a protease inhibitor. Proteases are enzymes that cleave protein molecules into smaller fragments. HIV protease is vital for both viral replication within the cell and release of mature viral particles from an infected cell. Saquinavir binds to the active site of the viral protease and prevents cleavage of viral polyproteins, preventing maturation of the virus. Saquinavir inhibits both HIV-1 and HIV-2 proteases.Studies have also looked at Saquinavir as a possible anti-cancer agent. |
| PSA | 166.75000 |
| Target | HIV; HIV Protease; SARS-CoV |
| Vapor Pressure | 0mmHg at 25°C |
| XLogP3-AA | 4.2 |
