Saquinavir-d9

Saquinavir-d9 is intended for use as an internal standard for the quantification of saquinavir (Cay-9001893) by GC- or LC-MS. 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-di(methyl-d3)ethyl-2,2,2-d3)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]-butanediamide. CAS Number: 1356355-11-7. Molecular Formula: C38H41D9N6O5. Formula Weight: 679.9. Purity: >99% deuterated forms (d1-d9). Formulation: (Request formulation change), A solid. Solubility: Chloroform: soluble, Methanol: soluble. SMILES: O=C(N[C@@H](CC(N)=O)C(N[C@@H](CC1=CC=CC=C1)[C@H](O)CN2C[C@](CCCC3)([H])[C@]3([H])C[C@H]2C(NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])=O)=O)C4=NC(C=CC=C5)=C5C=C4. InChi Code: InChI=1S/C38H50N6O5/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/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)/t26-,27+,30-,31-,32-,33+/m0/s1/i1D3,2D3,3D3. InChi Key: QWAXKHKRTORLEM-ABBOPLMISA-N.