CAS 157810-81-6|Indinavir Sulfate

Introduction：Basic information about CAS 157810-81-6|Indinavir Sulfate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Indinavir Sulfate BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Customs
6. Synonyms

Common Name	Indinavir Sulfate
CAS Number	157810-81-6	Molecular Weight	711.868
Density	/	Boiling Point	877.9ºC at 760 mmHg
Molecular Formula	C₃₆H₄₉N₅O₈S	Melting Point	150-153ºC
MSDS	/	Flash Point	484.7ºC

Names

Name	Indinavir sulfate
Synonym	More Synonyms

Indinavir Sulfate BiologicalActivity

Description	Indinavir sulfate(MK-639 sulfate; L735524 sulfate ) is a potent and specific HIV protease inhibitor that appears to have good oral bioavailability.Target: HIV ProteaseIndinavir(MK-639) is a protease inhibitor used as a component of highly active antiretroviral therapy (HAART) to treat HIV infection and AIDS.MK-639 appears to have significant dose-related antiviral activity and is well tolerated [1]. Inhibition constants (K(i)) of the antiviral drug indinavir for the reaction catalyzed by the mutant enzymes were about threefold and 50-fold higher for PR(L24I) and PR(I50V), respectively, relative to PR and PR(G73S). The dimer dissociation constant (K(d)) was estimated to be approximately 20 nM for both PR(L24I) and PR(I50V), and below 5 nM for PR(G73S) and PR. Crystal structures of the mutants PR(L24I), PR(I50V) and PR(G73S) were determined in complexes with indinavir, or the p2/NC substrate analog at resolutions of 1.10-1.50 Angstrom [2].
Related Catalog	Signaling Pathways >>Metabolic Enzyme/Protease >>HIV ProteaseSignaling Pathways >>Anti-infection >>HIVResearch Areas >>Inflammation/Immunology
References	[1]. Stein, D.S., et al., A 24-week open-label phase I/II evaluation of the HIV protease inhibitor MK-639 (indinavir). AIDS, 1996. 10(5): p. 485-92. [2]. Liu, F., et al., Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S. J Mol Biol, 2005. 354(4): p. 789-800.

Description

Indinavir sulfate(MK-639 sulfate; L735524 sulfate ) is a potent and specific HIV protease inhibitor that appears to have good oral bioavailability.Target: HIV ProteaseIndinavir(MK-639) is a protease inhibitor used as a component of highly active antiretroviral therapy (HAART) to treat HIV infection and AIDS.MK-639 appears to have significant dose-related antiviral activity and is well tolerated [1]. Inhibition constants (K(i)) of the antiviral drug indinavir for the reaction catalyzed by the mutant enzymes were about threefold and 50-fold higher for PR(L24I) and PR(I50V), respectively, relative to PR and PR(G73S). The dimer dissociation constant (K(d)) was estimated to be approximately 20 nM for both PR(L24I) and PR(I50V), and below 5 nM for PR(G73S) and PR. Crystal structures of the mutants PR(L24I), PR(I50V) and PR(G73S) were determined in complexes with indinavir, or the p2/NC substrate analog at resolutions of 1.10-1.50 Angstrom [2].

Related Catalog

Signaling Pathways >>Metabolic Enzyme/Protease >>HIV ProteaseSignaling Pathways >>Anti-infection >>HIVResearch Areas >>Inflammation/Immunology

References

[1]. Stein, D.S., et al., A 24-week open-label phase I/II evaluation of the HIV protease inhibitor MK-639 (indinavir). AIDS, 1996. 10(5): p. 485-92.

[2]. Liu, F., et al., Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S. J Mol Biol, 2005. 354(4): p. 789-800.

Chemical & Physical Properties

Boiling Point	877.9ºC at 760 mmHg
Melting Point	150-153ºC
Molecular Formula	C₃₆H₄₉N₅O₈S
Molecular Weight	711.868
Flash Point	484.7ºC
Exact Mass	711.330200
PSA	201.01000
LogP	3.95250
Vapour Pressure	5.56E-33mmHg at 25°C
InChIKey	NUBQKPWHXMGDLP-BDEHJDMKSA-N
SMILES	CC(C)(C)NC(=O)C1CN(Cc2cccnc2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O.O=S(=O)(O)O
Storage condition	-20°C Freezer
Water Solubility	Freely soluble in water, soluble in methanol, practically insoluble in heptane.

Safety Information

Safety Phrases	S36/37
HS Code	2933990090

Customs

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

MK-639,Crixivan

Indinivar sulphate

Indinavir Sulfate

INDINAVIR SULPHATE

Indinavir (sulfate)

indinavirsulfate(subjecttopatentfree)

(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide sulfate (salt)

(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide sulfate (salt) (non-preferred name)

(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-5-oxopentyl]-N-(1,1-diméthyléthyl)-4-(pyridin-3-ylméthyl)pipérazine-2-carboxamide sulfate (salt)

Crixivan

MK-639

INDIGOWOADROOTEXTRACT

IDV

(2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide sulfate (1:1) (non-preferred name)

(2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-(2-methyl-2-propanyl)-4-(3-pyridinylmethyl)-2-piperazinecarboxamide sulfate (1:1) (non-preferred name)

(2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazin-2-carboxamidsulfat(salt)

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