Saquinavir (mesylate)

Saquinavir is an HIV protease inhibitor (Kis = 0.12 and 50 = 2 nM). It also inhibits the activity of the severe acute respiratory coronavirus 2 (SARS-CoV-2) main protease (Mpro), also known as 3C-like protease (3CLpro), with an IC50 value of 9.92 µM.Formal Name: (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, monomethanesulfonate. CAS Number: 149845-06-7. Synonyms: Ro 31-8959/003. Molecular Formula: C38H50N6O5 . CH3SO3H. Formula Weight: 767.0. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMSO: 1 mg/ml, Methanol: 1 mg/ml. lambdamax: 206, 239, 291 nm. SMILES: O=C(N[C@H](C(N[C@@H](CC1=CC=CC=C1)[C@H](O)CN2[C@H](C(NC(C)(C)C)=O)C[C@@](CCCC3)([H])[C@@]3([H])C2)=O)CC(N)=O)C4=NC5=C(C=C4)C=CC=C5.CS(=O)(O)=O. InChi Code: 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. InChi Key: IRHXGOXEBNJUSN-YOXDLBRISA-N.