CAS 1370468-36-2|Elbasvir

Introduction：Basic information about CAS 1370468-36-2|Elbasvir, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

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

Common Name	Elbasvir
CAS Number	1370468-36-2	Molecular Weight	882.017
Density	1.4±0.1 g/cm3	Boiling Point	/
Molecular Formula	C₄₉H₅₅N₉O₇	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	elbasvir
Synonym	More Synonyms

Elbasvir BiologicalActivity

Description	Elbasvir (MK-8742) is a hepatitis C virus nonstructural protein 5A (HCV NS5A) inhibitor with EC50s of 4, 3 and 3 nM against genotype 1a, 1b, and 2a, respectively.
Related Catalog	Signaling Pathways >>Metabolic Enzyme/Protease >>HCV ProteaseSignaling Pathways >>Anti-infection >>HCVResearch Areas >>Infection
Target	EC50: 4 nM (HCV 1a), 3 nM (HCV 1b), 3 nM (HCV 2a)[1]
In Vitro	Elbasvir shows potent activity against genotype 1a and 1b replicons, with EC90 of 0.006 nM for both the wild-type 1a_H77 and 1b_con1 replicons. Elbasvir inhibits genotype 3 replicons with EC90 of 0.12 nM. Elbasvir (0.06 nM, 0.6 nM, and 6 nM) demonstrates dose-dependent suppression of resistant genotype 1a replicons, illustrated by the reductions in colony counts at higher doses[1]. Elbasvir is highly potent against HCV replicons bearing NS5A sequences from GT1a, -1b, -2a(31L), -3a, -4a, -5a, and -6, with EC50s in the low-picomolar range[2].
References	[1]. Liu R, et al. Susceptibilities of genotype 1a, 1b, and 3 hepatitis C virus variants to the NS5A inhibitor Elbasvir. Antimicrob Agents Chemother. 2015 Nov;59(11):6922-6929. [2]. Lahser FC, et al. The Combination of Grazoprevir, a Hepatitis C Virus (HCV) NS3/4A Protease Inhibitor, and Elbasvir, an HCV NS5A Inhibitor, Demonstrates a High Genetic Barrier to Resistance in HCV Genotype 1a Replicons. Antimicrob Agents Chemother. 2016 A

Chemical & Physical Properties

Density	1.4±0.1 g/cm3
Molecular Formula	C₄₉H₅₅N₉O₇
Molecular Weight	882.017
Exact Mass	881.422424
PSA	188.80000
LogP	6.98
Index of Refraction	1.701
InChIKey	BVAZQCUMNICBAQ-PZHYSIFUSA-N
SMILES	COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3c(c2)OC(c2ccccc2)n2c-3cc3cc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C
Storage condition	-20℃

Synonyms

dimethyl N,N'-([(6S)-6-phenylindolo[1,2-c][1,3]benzoxazine-3,10-diyl]bis{1H-imidazole-5,2-diyl-(2S)-pyrrolidine-2,1-diyl[(2S)-3-methyl-1-oxobutane-1,2-diyl]})dicarbamate

Elbasvir(MK8742)

Carbamic acid, N,N'-[[(6S)-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine-3,10-diyl]bis[1H-imidazole-4,2-diyl(2S)-2,1-pyrrolidinediyl[(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-, dimethyl ester

Methyl {(2S)-1-[(2S)-2-{4-[(6S)-3-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-2-pyrrolidinyl]-1H-imidazol-4-yl}-6-phenylindolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl}-1-pyrrolidinyl]-3-methyl-1-oxo-2-butanyl}carbamate

MK-8742

UNII-632L571YDK

Elbasvir

((2S,2'S)-((2S,2'S)-2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl))dicarbamate

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