CAS 1009119-65-6|Daclatasvir dihydrochloride

Introduction：Basic information about CAS 1009119-65-6|Daclatasvir dihydrochloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Daclatasvir dihydrochloride BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	Daclatasvir dihydrochloride
CAS Number	1009119-65-6	Molecular Weight	811.797
Density	/	Boiling Point	/
Molecular Formula	C₄₀H₅₂Cl₂N₈O₆	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	daclatasvir hydrochloride
Synonym	More Synonyms

Daclatasvir dihydrochloride BiologicalActivity

Description	BMS-790052 is a highly selective inhibitor of HCV NS5A with EC50 of 9-50 pM, for a broad range of HCV replicon genotypes and the JFH-1 genotype 2a infectious virus in cell culture.IC50 Value: 9-50 pMTarget: HCV NS5ABMS-790052 has broad genotype coverage and exhibits picomolar in vitro potency against genotypes 1a (EC50 50pm) and 1b (EC50 9pm). BMS-790052 produces a robust decline in HCV RNA (-3.6 logs after 48 hours from a single 100 mg) dosefollowing a single dose in patients chronically infected with HCV genotype 1.
Related Catalog	Signaling Pathways >>Metabolic Enzyme/Protease >>HCV ProteaseSignaling Pathways >>Anti-infection >>HCVResearch Areas >>Infection
References	[1]. Suzuki F, Sezaki H, Akuta N, Suzuki Y, Seko Y, Kawamura Y, Hosaka T, Kobayashi M, Saito S, Arase Y, Ikeda K, Kobayashi M, Mineta R, Watahiki S, Miyakawa Y, Kumada H.Prevalence of hepatitis C virus variants resistant to NS3 protease inhibitors or the NS5A inhibitor (BMS-790052) in hepatitis patients with genotype 1b.J Clin Virol. 2012 Aug;54(4):352-4. Epub 2012 Jun 1. [2]. Jiang H, Zeng J, Kandoussi H, Liu Y, Wang X, Bifano M, Cojocaru L, Ryan J, Arnold ME.A sensitive and accurate liquid chromatography-tandem mass spectrometry method for quantitative determination of the novel hepatitis C NS5A inhibitor BMS-790052 (daclastasvir) in human plasma and urine.J Chromatogr A. 2012 Jul 6;1245:117-21. Epub 2012 May 14. [3]. Sun JH, O'Boyle Ii DR, Zhang Y, Wang C, Nower P, Valera L, Roberts S, Nettles RE, Fridell RA, Gao M.Impact of a baseline polymorphism on the emergence of resistance to the hepatitis C virus nonstructural protein 5A replication complex inhibitor, BMS-790052.Hepatology. 2012 Jun;55(6):1692-9. [4]. Wang C, Jia L, Huang H, Qiu D, Valera L, Huang X, Sun JH, Nower PT, O'Boyle DR 2nd, Gao M, Fridell RA.In vitro activity of BMS-790052 on hepatitis C virus genotype 4 NS5A.Antimicrob Agents Chemother. 2012 Mar;56(3):1588-90. Epub 2011 Dec 27. [5]. Fridell RA et al. Resistance analysis of the hepatitis C virus NS5A inhibitor BMS-790052 in an in vitro replicon system. Antimicrob Agents Chemother. 2010 Sep;54(9):3641-50.

Description

BMS-790052 is a highly selective inhibitor of HCV NS5A with EC50 of 9-50 pM, for a broad range of HCV replicon genotypes and the JFH-1 genotype 2a infectious virus in cell culture.IC50 Value: 9-50 pMTarget: HCV NS5ABMS-790052 has broad genotype coverage and exhibits picomolar in vitro potency against genotypes 1a (EC50 50pm) and 1b (EC50 9pm). BMS-790052 produces a robust decline in HCV RNA (-3.6 logs after 48 hours from a single 100 mg) dosefollowing a single dose in patients chronically infected with HCV genotype 1.

Related Catalog

Signaling Pathways >>Metabolic Enzyme/Protease >>HCV ProteaseSignaling Pathways >>Anti-infection >>HCVResearch Areas >>Infection

References

[1]. Suzuki F, Sezaki H, Akuta N, Suzuki Y, Seko Y, Kawamura Y, Hosaka T, Kobayashi M, Saito S, Arase Y, Ikeda K, Kobayashi M, Mineta R, Watahiki S, Miyakawa Y, Kumada H.Prevalence of hepatitis C virus variants resistant to NS3 protease inhibitors or the NS5A inhibitor (BMS-790052) in hepatitis patients with genotype 1b.J Clin Virol. 2012 Aug;54(4):352-4. Epub 2012 Jun 1.

[2]. Jiang H, Zeng J, Kandoussi H, Liu Y, Wang X, Bifano M, Cojocaru L, Ryan J, Arnold ME.A sensitive and accurate liquid chromatography-tandem mass spectrometry method for quantitative determination of the novel hepatitis C NS5A inhibitor BMS-790052 (daclastasvir) in human plasma and urine.J Chromatogr A. 2012 Jul 6;1245:117-21. Epub 2012 May 14.

[3]. Sun JH, O'Boyle Ii DR, Zhang Y, Wang C, Nower P, Valera L, Roberts S, Nettles RE, Fridell RA, Gao M.Impact of a baseline polymorphism on the emergence of resistance to the hepatitis C virus nonstructural protein 5A replication complex inhibitor, BMS-790052.Hepatology. 2012 Jun;55(6):1692-9.

[4]. Wang C, Jia L, Huang H, Qiu D, Valera L, Huang X, Sun JH, Nower PT, O'Boyle DR 2nd, Gao M, Fridell RA.In vitro activity of BMS-790052 on hepatitis C virus genotype 4 NS5A.Antimicrob Agents Chemother. 2012 Mar;56(3):1588-90. Epub 2011 Dec 27.

[5]. Fridell RA et al. Resistance analysis of the hepatitis C virus NS5A inhibitor BMS-790052 in an in vitro replicon system. Antimicrob Agents Chemother. 2010 Sep;54(9):3641-50.

Chemical & Physical Properties

Molecular Formula	C₄₀H₅₂Cl₂N₈O₆
Molecular Weight	811.797
Exact Mass	810.338684
PSA	181.62000
LogP	8.11060
InChIKey	BVZLLUDATICXCI-JMSCDMLISA-N
SMILES	COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C.Cl.Cl

Safety Information

Hazard Codes	Xn

Synonyms

Daclatasvir dihydrochloride (USAN)

daclatasvir hydrochloride

Carbamic acid, N,N'-[[1,1'-biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl(2S)-2,1-pyrrolidinediyl[(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-, dimethyl ester, hydrochloride (1:2)

BMS-790052 dihydrochloride

UNII-50ZO25C11D

methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate,dihydrochloride

MFCD18251440

Daklinza

CS-0270

Daclatasvir dihydrochloride

Daclatasvir hydrochloride (JAN)

Daclatasvir HCL

Methyl [(2S)-1-{(2S)-2-[4-(4'-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-2-pyrrolidinyl]-1H-imidazol-4-yl}-4-biphenylyl)-1H-imidazol-2-yl]-1-pyrrolidinyl}-3-methyl-1-oxo-2-butanyl]carbamate dihydrochloride

BMS 790052

Daclatasvir (dihydrochloride)

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