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149845-06-7

149845-06-7 Structure

149845-06-7 Structure
IdentificationMore
[Name]

SAQUINAVIR MESYLATE
[CAS]

149845-06-7
[Synonyms]

FORTOVASE
INVIRASE
RO 31-8959
SAQUINAVIR MESYLATE
(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 Mesylate
Ro 31-895
Butanediamide, 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]-, (2S)-, monomethanesulfonate (salt) (9CI)
Butanediamide, N1-[3-[3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]-, [3S-[2[1R*(R*),2S*],3a,4ab,8ab]]-, monomethanesulfonate (salt)
Ro 31-8959/003
[Molecular Formula]

C39H54N6O8S
[MDL Number]

MFCD00944907
[Molecular Weight]

766.95
[MOL File]

149845-06-7.mol
Chemical PropertiesBack Directory
[Appearance]

White Crystalline Solid
[Melting point ]

241 °C (decomp)
[storage temp. ]

2-8°C
[solubility ]

DMSO: ≥5mg/mL
[form ]

powder
[color ]

white to tan
[Usage]

A selective HIV protease inhibitor
[InChIKey]

IRHXGOXEBNJUSN-YOXDLBRISA-N
[SMILES]

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
[CAS DataBase Reference]

149845-06-7(CAS DataBase Reference)
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

2933492250
[Storage Class]

11 - Combustible Solids
[Toxicity]

monkey,LD,oral,> 1680mg/kg (1680mg/kg),Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 40, Pg. 2183, 1998.
Hazard InformationBack Directory
[Hazard]

Moderately toxic by ingestion.
[Chemical Properties]

White Crystalline Solid
[Uses]

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

A selective HIV protease inhibitor. Antiviral.
[Uses]

Antiviral;Protease inhibitor
[Definition]

ChEBI: Saquinavir mesylate is an organic molecular entity.
[Brand name]

Invirase (Roche).
[General Description]

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

Store at +4°C
Spectrum DetailBack Directory
[Spectrum Detail]

SAQUINAVIR MESYLATE(149845-06-7)1HNMR
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