S8451

Saquinavir mesylate

≥98% (HPLC), powder

• Synonym(s): (2S)-N1[(1S,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-Dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]butanediamide methanesulfonate, Ro-31-8959
• Empirical Formula (Hill Notation): C₃₈H₅₀N₆O₅·CH₄O₃S
• CAS Number: 149845-06-7
• Molecular Weight: 766.95
• MDL number: MFCD00944907
• UNSPSC Code: 12352200
• PubChem Substance ID: 329824603
• NACRES: NA.77

Properties

• assay: ≥98% (HPLC)
• form: powder
• storage condition: desiccated
• color: white to tan
• solubility: DMSO: ≥5 mg/mL
• originator: Roche
• storage temp.: 2-8°C
• SMILES string: CS(O)(=O)=O.CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)c4ccc5ccccc5n4
• InChI: 1S/C38H50N6O5.CH4O3S/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;1-5(2,3)4/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);1H3,(H,2,3,4)/t26-,27+,30-,31-,32-,33+;/m0./s1
• InChI key: IRHXGOXEBNJUSN-YOXDLBRISA-N

Description

General description

Saquinavir is a peptidomimetic hydroxyethylamine inhibitor, which is used to treat human immunodeficiency virus (HIV) infection.

Application

Saquinavir mesylate may be used in cell signaling and immunology studies.

Biochem/physiol Actions

Saquinavir is an HIV Protease Inhibitor used in antiretroviral therapy. It inhibits both HIV-1 and HIV-2 proteases. Studies have also looked at saquinavir as a possible anti-cancer agent.

Features and Benefits

This compound is a featured product for ADME Tox research. Click here to discover more featured ADME Tox products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.

This compound was developed by Roche. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable