Saquinavir mesylate | B1999

Saquinavir mesylate is a HIV protease inhibitor (Kis = 0.12 and < 0.1 nM for HIV-1 and HIV-2 protease, respectively) that displays antiviral activity with low cytotoxicity.

Saquinavir mesylate is a HIV protease inhibitor (Kis = 0.12 and < 0.1 nM for HIV-1 and HIV-2 protease, respectively) that displays antiviral activity with low cytotoxicity.

B1999 | Saquinavir mesylate DataSheet

Alternate Name/Synonyms: (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

Appearance: White to off-white solid

Formulation: N/A

CAS Number: 149845-06-7

Structure Available?: Yes

Peptide sequence: N/A

Salt Form: No

Molecular Formula: C₃₈H₅₀N₆O₅·CH₄O₃S

Molecular Weight: 766.95

Cell-Permeable?: Yes

Purity: ≥98% by HPLC

Solubilities: DMSO (~ 5 mg/ml)

Handling: Protect from air and light

Country of Origin: USA

Tag Line: A HIV protease inhibitor

MDL Number: MFCD00944907

PubChem CID: 60934

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.CS(=O)(=O)O

InChi: 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