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Saquinavir mesylate structure, CAS 149845-06-7

Saquinavir mesylate

CAS Number149845-06-7

SynonymsSaquinavir mesilate; Saquinavir monomethanesulfonate salt; Saquinavir Mesylate; MFCD00944907

Molecular FormulaC39H54N6O8S

Molecular Weight766.95

Purity≥98 (HPLC)%

Density

Boiling Point1015ºC at 760 mmHg

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

SymbolTransport

Signal WordWarning

Cat. No.: 2A-9012392 Purity: ≥98 (HPLC)%
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Quality Control of [ 149845-06-7 ] Purity: ≥98 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number149845-06-7
Catalog No.2A-9012392
Chinese Name甲磺酸沙奎那韦
SynonymsSaquinavir mesilate; Saquinavir monomethanesulfonate salt; Saquinavir Mesylate; MFCD00944907
Molecular FormulaC39H54N6O8S
Molecular Weight766.95
Purity≥98 (HPLC)
Boiling Point1015ºC at 760 mmHg
Appearancepowder
Storage Condition-20°C Freezer
ApplicationSaquinavir mesylate is an HIV protease inhibitor used in retroviral therapy.
PubChem ID329824603
MDL NumberMFCD00944907
SMILESCS(O)(=O)=O.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(N)=O)NC(=O)c4ccc5ccccc5n4
InChI1S/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 KeyIRHXGOXEBNJUSN-YOXDLBRISA-N
NACRES CodeNA.77
UNSPSC12352200
Hazard SymbolsTransport
MSDSmsds/12392_1_149845_06_7.pdf
BioactivitySaquinavir mesylate is an HIV Protease Inhibitor used in antiretroviral therapy. IC50 Value:Target: HIV ProteaseSaquinavir is a protease inhibitor. Proteases are enzymes that cleave protein molecules into smaller fragments. HIV protease is vital for both viral replication within the cell and release of mature viral particles from an infected cell. 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.Studies have also looked at Saquinavir as a possible anti-cancer agent. Related Catalog Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Metabolic Enzyme/Protease >> HIV Protease Signaling Pathways >> Anti-infection >> HIV Research Areas >> Infection References [1]. Kaldor et al (1995) Isophthalic acid derivatives: amino acid surrogates for the inhibition of HIV-1 protease. Bioorg.Med.Chem.Lett. 5 721. [2]. Yerino GA, Halabe EK, Zini E, Feleder EC.Bioequivalence study of two oral tablet formulations containing saquinavir mesylate boosted with ritonavir in healthy male subjects.Arzneimittelforschung. 2011;61(8):481-7. [3]. Branham ML, Moyo T, Govender T.Preparation and solid-state characterization of ball milled saquinavir mesylate for solubility enhancement.Eur J Pharm Biopharm. 2012 Jan;80(1):194-202. [4]. Brouwers J, Vermeire K, Grammen C, Schols D, Augustijns P.Early identification of availability issues for poorly water-soluble microbicide candidates in biorelevant media: a case study with saquinavir.Antiviral Res. 2011 Aug;91(2):217-23. [5]. Knechten H, Lutz T, Pulik P, Martin T, Tappe A, Jaeger H.Safety and Efficacy in HIV-1-Infected Patients Treated with Ritonavir-Boosted Saquinavir Mesylate. Chemical & Physical Properties Boiling Point 1015ºC at 760 mmHg Molecular Formula C39H54N6O8S Molecular Weight 766.946 Flash Point 567.7ºC Exact Mass 766.372375 PSA 229.50000 LogP 5.48810 Vapour Pressure 0mmHg at 25°C InChIKey IRHXGOXEBNJUSN-YOXDLBRISA-N SMILES CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1.CS(=O)(=O)O Storage condition -20°C Freezer
Use ofSaquinavir mesylate is an HIV Protease Inhibitor used in antiretroviral therapy. IC50 Value:Target: HIV ProteaseSaquinavir is a protease inhibitor. Proteases are enzymes that cleave protein molecules into smaller fragments. HIV protease is vital for both viral replication within the cell and release of mature viral particles from an infected cell. 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.Studies have also looked at Saquinavir as a possible anti-cancer agent. Properties Articles27 Name Saquinavir Mesylate Synonym More Synonyms Saquinavir mesylate Biological Activity Description Saquinavir mesylate is an HIV Protease Inhibitor used in antiretroviral therapy. IC50 Value:Target: HIV ProteaseSaquinavir is a protease inhibitor. Proteases are enzymes that cleave protein molecules into smaller fragments. HIV protease is vital for both viral replication within the cell and release of mature viral particles from an infected cell. 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.Studies have also looked at Saquinavir as a possible anti-cancer agent. Related Catalog Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Metabolic Enzyme/Protease >> HIV Protease Signaling Pathways >> Anti-infection >> HIV Research Areas >> Infection References [1]. Kaldor et al (1995) Isophthalic acid derivatives: amino acid surrogates for the inhibition of HIV-1 protease. Bioorg.Med.Chem.Lett. 5 721. [2]. Yerino GA, Halabe EK, Zini E, Feleder EC.Bioequivalence study of two oral tablet formulations containing saquinavir mesylate boosted with ritonavir in healthy male subjects.Arzneimittelforschung. 2011;61(8):481-7. [3]. Branham ML, Moyo T, Govender T.Preparation and solid-state characterization of ball milled saquinavir mesylate for solubility enhancement.Eur J Pharm Biopharm. 2012 Jan;80(1):194-202. [4]. Brouwers J, Vermeire K, Grammen C, Schols D, Augustijns P.Early identification of availability issues for poorly water-soluble microbicide candidates in biorelevant media: a case study with saquinavir.Antiviral Res. 2011 Aug;91(2):217-23. [5]. Knechten H, Lutz T, Pulik P, Martin T, Tappe A, Jaeger H.Safety and Efficacy in HIV-1-Infected Patients Treated with Ritonavir-Boosted Saquinavir Mesylate. Chemical & Physical Properties Molecular Formula C39H54N6O8S Exact Mass 766.372375 PSA 229.50000 LogP 5.48810 InChIKey IRHXGOXEBNJUSN-YOXDLBRISA-N
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available See reverse side of invoice or packing slip.
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