CAS 127779-20-8|Saquinavir

Introduction：Basic information about CAS 127779-20-8|Saquinavir, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Saquinavir BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	Saquinavir
CAS Number	127779-20-8	Molecular Weight	670.841
Density	1.3±0.1 g/cm3	Boiling Point	1015ºC at 760 mmHg
Molecular Formula	C₃₈H₅₀N₆O₅	Melting Point	91.5ºC
MSDS	/	Flash Point	567.7ºC

Names

Name	saquinavir
Synonym	More Synonyms

Saquinavir BiologicalActivity

Description	Saquinavir(Ro 31-8959) 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 >>Metabolic Enzyme/Protease >>HIV ProteaseSignaling Pathways >>Anti-infection >>HIVResearch Areas >>Infection
References	[1]. Marco Donia, Danijela Maksimovic-Ivanic, Sanja Mijatovic, et al. In vitro and in vivo anticancer action of Saquinavir-NO, a novel nitric oxide-derivative of the protease inhibitor saquinavir, on hormone resistant prostate cancer cells. Cell cycle. 2011, 1 [2]. Walmsley Sharon, Avihingsanon Anchalee, Slim Jihad et al. Gemini: A Noninferiority Study of Saquinavir/Ritonavir Versus Lopinavir/Ritonavir as Initial HIV-1 Therapy in Adults. JAIDS Journal of Acquired Immune Deficiency Syndromes. 2009,50 (4) :367-374. [3]. Saquinavir [4]. Barillari Giovannia, Iovane Andréa, Bacigalupo Ilariaa, et al. Ritonavir or saquinavir impairs the invasion of cervical intraepithelial neoplasia cells via a reduction of MMP expression and activity. AIDS. 2012, 26 (8): 909-919. [5]. Martha Stefanidou, Carolina Herrera, Naomi Armanasco et al. Saquinavir Inhibits Early Events Associated with Establishment of HIV-1 Infection: Potential Role for Protease Inhibitors in Prevention. Antimicrob. Agents Chemother. 2012, 56 (8): 4381-4390.

Description

Saquinavir(Ro 31-8959) 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 >>Metabolic Enzyme/Protease >>HIV ProteaseSignaling Pathways >>Anti-infection >>HIVResearch Areas >>Infection

References

[1]. Marco Donia, Danijela Maksimovic-Ivanic, Sanja Mijatovic, et al. In vitro and in vivo anticancer action of Saquinavir-NO, a novel nitric oxide-derivative of the protease inhibitor saquinavir, on hormone resistant prostate cancer cells. Cell cycle. 2011, 1

[2]. Walmsley Sharon, Avihingsanon Anchalee, Slim Jihad et al. Gemini: A Noninferiority Study of Saquinavir/Ritonavir Versus Lopinavir/Ritonavir as Initial HIV-1 Therapy in Adults. JAIDS Journal of Acquired Immune Deficiency Syndromes. 2009,50 (4) :367-374.

[3]. Saquinavir

[4]. Barillari Giovannia, Iovane Andréa, Bacigalupo Ilariaa, et al. Ritonavir or saquinavir impairs the invasion of cervical intraepithelial neoplasia cells via a reduction of MMP expression and activity. AIDS. 2012, 26 (8): 909-919.

[5]. Martha Stefanidou, Carolina Herrera, Naomi Armanasco et al. Saquinavir Inhibits Early Events Associated with Establishment of HIV-1 Infection: Potential Role for Protease Inhibitors in Prevention. Antimicrob. Agents Chemother. 2012, 56 (8): 4381-4390.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	1015ºC at 760 mmHg
Melting Point	91.5ºC
Molecular Formula	C₃₈H₅₀N₆O₅
Molecular Weight	670.841
Flash Point	567.7ºC
Exact Mass	670.384277
PSA	166.75000
LogP	6.40
Vapour Pressure	0mmHg at 25°C
Index of Refraction	1.646
InChIKey	QWAXKHKRTORLEM-UGJKXSETSA-N
SMILES	CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1
Storage condition	2-8℃

Synonyms

L-aspartamide, N1-[(1S,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-N2-(2-quinolinylcarbonyl)-

(2S)-N-[(2S,3R)-4-[(3S)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide

[3S-[2[1R*(R*),2S*],3a,4ab,8ab]]- N1[3-[3-[[(1,1-Dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]butanediamide

Butanediimidic acid, N-[(1S,2R)-3-[(3S,4aS,8aS)-3-[(Z)-[(1,1-dimethylethyl)imino]hydroxymethyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]-, (1E ,2S)-

N-{(1S,2R)-1-benzyl-3-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl}-N-(quinolin-2-ylcarbonyl)-L-aspartamide

N-{(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-Butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}-N-(quinolin-2-ylcarbonyl)-L-aspartamide

SAGUINAVIR

N-tert-Butyldecahydro-2-[2(R)-hydroxy-4-phenyl-3(S)-[[N-(2-quinolylcarbonyl)-L-asparaginyl]amino]butyl](4aS,8aS)-isoquinoline-3(S)-carboxamide

(2S)-N-{(1S,2R)-1-Benzyl-3-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisochinolin-2(1H)-yl]-2-hydroxypropyl}-2-[(chinolin-2-ylcarbonyl)amino]butandiamid

Saquinavir

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)-

N1-{(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}-N2-(quinolin-2-ylcarbonyl)-L-aspartamide

SAQUINAVIRMESYLATE(SUBJECTTOPATENTFREE)

2-[[2-METHYL-3-(TRIFLUOROMETHYL)PHENYL]AMINO]PYRIDINE-3-CARBOXYLIC ACID

Ro 31-8959/000

FLUNIXIN

(2S)-N-{(1S,2R)-1-benzyl-3-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl}-2-[(quinolin-2-ylcarbonyl)amino]butanediamide

(S)-N-[(aS)-a-[(1R)-2-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydro-2(1H)-isoquinolyl]-1-hydroxyethyl]phenethyl]-2-quinaldamidosuccinamide

L-Aspartamide, N-[(1S,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-N-(2-quinolinylcarbonyl)-

(2S)-N-{(1S,2R)-1-benzyl-3-[(3S,4aS,8aS)-3-[(1,1-diméthyléthyl)carbamoyl]octahydroisoquinoléin-2(1H)-yl]-2-hydroxypropyl}-2-[(quinoléin-2-ylcarbonyl)amino]butanediamide

FLUNIXINE

(1E,2S)-N-{(2S,3R)-3-Hydroxy-4-[(3S,4aS,8aS)-3-{(Z)-hydroxy[(2-methyl-2-propanyl)imino]methyl}octahydro-2(1H)-isoquinolinyl]-1-phenyl-2-butanyl}-2-[(2-quinolinylcarbonyl)amino]butanediimidic acid

MFCD00866925

N-{(2S,3R)-3-Hydroxy-4-[(3S,4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinolinyl]-1-phenyl-2-butanyl}-N-(2-quinolinylcarbonyl)-L-aspartamide

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