MedKoo Cat#: 575628 | Name: Saquinavir free base
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Saquinavir, also known as Ro 31-8959, is an antiretroviral drug used together with other medications to treat or prevent HIV/AIDS. Typically it is used with ritonavir or lopinavir/ritonavir to increase its affect. Saquinavir is a protease inhibitor. Saquinavir binds to the active site of the viral protease and prevents cleavage of viral polyproteins, preventing maturation of the virus. Saquinavir inhibits both HIV-1 and HIV-2 proteases.

Chemical Structure

Saquinavir free base
Saquinavir free base
CAS#127779-20-8 (free base)

Theoretical Analysis

MedKoo Cat#: 575628

Name: Saquinavir free base

CAS#: 127779-20-8 (free base)

Chemical Formula: C38H50N6O5

Exact Mass: 670.3843

Molecular Weight: 670.85

Elemental Analysis: C, 68.04; H, 7.51; N, 12.53; O, 11.92

Price and Availability

Size Price Availability Quantity
50mg USD 550.00 2 Weeks
100mg USD 950.00 2 Weeks
200mg USD 1,650.00 2 Weeks
500mg USD 2,650.00 2 Weeks
1g USD 3,650.00 2 Weeks
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Synonym
Fortovase; Invirase; Ro 31 8959; Ro 31-8959; Ro 31-8959/000; Ro 318959; Saquinavir; Sch 52852
IUPAC/Chemical Name
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)-
InChi Key
QWAXKHKRTORLEM-UGJKXSETSA-N
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
SMILES Code
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(=O)N)NC(=O)c4ccc5ccccc5n4
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 670.85 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Muret P, Solas C; Groupe Suivi Therapeutique Pharmacologique de la Societe Francaise de Pharmacologie et de Therapeutique. [Evidence-based therapeutic drug monitoring for saquinavir]. Therapie. 2011 May-Jun;66(3):207-12. doi: 10.2515/therapie/2011029. Epub 2011 Aug 9. Review. French. PubMed PMID: 21819804. 2: la Porte CJ. Saquinavir, the pioneer antiretroviral protease inhibitor. Expert Opin Drug Metab Toxicol. 2009 Oct;5(10):1313-22. doi: 10.1517/17425250903273160. Review. PubMed PMID: 19737048. 3: O'Brien WA 3rd. Saquinavir/Ritonavir: its evolution and current treatment role. AIDS Read. 2006 Jan;16(1):38-44; discussion 43. Review. PubMed PMID: 16433471. 4: Hill A, Walmsley S, Clotet B, Molto J. Analysis of genotypic and phenotypic clinical cut-off levels for ritonavir-boosted saquinavir. HIV Med. 2006 Mar;7(2):67-74. Review. PubMed PMID: 16420251. 5: Johnson M, Peters B. Saquinavir/low-dose ritonavir: its use in HIV infection. AIDS Rev. 2003 Jan-Mar;5(1):44-51. Review. PubMed PMID: 12875107.