Saquinavir mesylate

Base Information

• Chemical Name: Saquinavir mesylate
• CAS No.: 149845-06-7
• Molecular Formula: C38H50N6O5^.CH4O3S
• Molecular Weight: 766.959
• Hs Code.: 2933492250
• UNII: UHB9Z3841A
• DSSTox Substance ID: DTXSID9023835
• Wikidata: Q27114794
• NCI Thesaurus Code: C1602
• RXCUI: 859857
• ChEMBL ID: CHEMBL282042
• Mol file: 149845-06-7.mol

Synonyms:Invirase;Monomethanesulfonate, Saquinavir;Ro 31 8959;Ro 31-8959;Ro 318959;Saquinavir;Saquinavir Mesylate;Saquinavir Monomethanesulfonate;Saquinivir

Chemical Property of Saquinavir mesylate

Chemical Property:

• Appearance/Colour: White crystalline solid
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 241 °C (decomp)
• Boiling Point: 1015 °C at 760 mmHg
• Flash Point: 567.7 °C
• PSA: 229.50000
• LogP: 5.48810
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO: ≥5mg/mL
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 13
• Exact Mass: 766.37238388
• Heavy Atom Count: 54
• Complexity: 1230

Purity/Quality:

99% ^*data from raw suppliers

Saquinavir, Mesylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical 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
• Isomeric SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O.CS(=O)(=O)O
• Recent ClinicalTrials: Paclitaxel in Treating Patients With AIDS-Related Kaposi's Sarcoma
• Recent EU Clinical Trials: A Randomised, Controlled, Open-Label, 48-Week, Study To Asses Differences in Changes In Plasma Lipid Profile Between Patients On Saquinavir/Ritonavir Or Atazanavir/Ritonavir In Combination With Tenofovir Disoproxil Fumarate And Emtricitabine As A First-line Regimen.
• Uses: A selective HIV protease inhibitor. Antiviral. Antiviral;Protease inhibitor Saquinavir mesylate may be used in cell signaling and immunology studies.

Technology Process of Saquinavir mesylate

There total 1 articles about Saquinavir mesylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

methanesulfonic acid (75-75-2,98527-29-8) + Saquinavir (127779-20-8,128053-46-3,137622-85-6,147922-51-8,147922-52-9) → invirase (149845-06-7)

Guidance literature:

In methanol; at 20 - 25 ℃; for 12.25h;

Reference yield: 69.0%

6-[(2S)-2-tert-butoxycarbonylamino-3-methyl-butyrylamino]-hexanoic acid (42417-31-2) + invirase (149845-06-7) → C54H78N8O9

Guidance literature:

With dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In dichloromethane; at 0 - 20 ℃;

DOI:10.1016/j.ejmech.2007.08.016

Reference yield:

invirase (149845-06-7) → Saquinavir (127779-20-8,128053-46-3,137622-85-6,147922-51-8,147922-52-9)

Guidance literature:

With sodium hydroxide; In chloroform; water; at 30 - 35 ℃; for 0.166667h; pH=11 - 11.5; Product distribution / selectivity;

upstream raw materials:

methanesulfonic acid

Saquinavir

Downstream raw materials:

Saquinavir

Refernces

• 1、 -. "A PROCESS FOR THE PREPARATION OF SAQUINAVIR USING NOVEL INTERMEDIATE". Page/Page column 4-5. . Retrieved 2008/06/13.