Synonym: (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
CAS Number: 149845-06-7
Empirical Formula (Hill Notation): C38H50N6O5·CH4O3S
Molecular Weight: 766.95
MDL Number: MFCD00944907
Linear Formula: C38H50N6O5·CH4O3S
Product Type: Chemical
| assay |
≥98% (HPLC) |
| color |
white to tan |
| form |
powder |
| 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 |
| originator |
Roche |
| Quality Level |
100  |
| 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 |
| solubility |
DMSO: ≥5 mg/mL |
| storage condition |
desiccated |
| storage temp. |
2-8°C |
| 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. |
| 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 . |
| Features and Benefits: |
This compound was developed by Roche . To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here . |
| General description: |
Saquinavir is a peptidomimetic hydroxyethylamine inhibitor, which is used to treat human immunodeficiency virus (HIV) infection. |
| Packaging: |
10, 50 mg in glass bottle |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥98% (HPLC) |
| Storage Temp. |
2-8°C |
| UNSPSC |
12352200 |
