Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Daclatasvir-d6
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Purity: 99.0%
Stocking Period: 10 Day
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1801709-41-0

1801709-41-0 structure

Name: Daclatasvir-d6
Chemical Name: Daclatasvir-d6
CAS Number: 1801709-41-0
Molecular Formula: C₄₀H₄₄D₆N₈O₆
Molecular Weight: 744.91
Catalog: Signaling Pathways Anti-infection HCV
Create Date: 2021-07-09 21:19:04
Modify Date: 2024-10-05 22:17:01
Daclatasvir-d6 is deuterium labeled Daclatasvir. Daclatasvir (BMS-790052) is a potent and orally active HCV NS5A protein inhibitor with EC50s range of 9-146 pM for multiple HCV replicon genotypes. Daclatasvir is also a organic anion transporting polypeptide 1B (OATP1B) and OATP1B3 inhibitor with IC50s of 1.5 µM and 3.27 µM, respectively[1][2][3].

Name	Daclatasvir-d6
Synonyms	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-d3 ester Daclatasvir-d6 (2H3)Methyl {(2S)-3-methyl-1-[(2S)-2-{5-[4'-(2-{(2S)-1-[(2S)-3-methyl-2-({[(2H3)methyloxy]carbonyl}amino)butanoyl]-2-pyrrolidinyl}-1H-imidazol-5-yl)-4-biphenylyl]-1H-imidazol-2-yl}-1-pyrrolidi nyl]-1-oxo-2-butanyl}carbamate

Description	Daclatasvir-d6 is deuterium labeled Daclatasvir. Daclatasvir (BMS-790052) is a potent and orally active HCV NS5A protein inhibitor with EC50s range of 9-146 pM for multiple HCV replicon genotypes. Daclatasvir is also a organic anion transporting polypeptide 1B (OATP1B) and OATP1B3 inhibitor with IC50s of 1.5 µM and 3.27 µM, respectively[1][2][3].
Related Catalog	Signaling Pathways >> Anti-infection >> HCV Research Areas >> Infection
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References	[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [2]. Min Gao, et al. Chemical genetics strategy identifies an HCV NS5A inhibitor with a potent clinical effect. Nature. 2010 May 6;465(7294):96-100. [3]. David B Ascher, et al. Potent hepatitis C inhibitors bind directly to NS5A and reduce its affinity for RNA. Sci Rep. 2014 Apr 23;4:4765. [4]. Tomomi Furihata, et al. Different interaction profiles of direct-acting anti-hepatitis C virus agents with human organic anion transporting polypeptides. Antimicrob Agents Chemother. 2014 Aug;58(8):4555-64. [5]. Seung-Hoon Lee, et al. HA1077 displays synergistic activity with daclatasvir against hepatitis C virus and suppresses the emergence of NS5A resistance-associated substitutions in mice. Sci Rep. 2018 Aug 20;8(1):12469.

Density	1.3±0.1 g/cm3
Boiling Point	1071.2±65.0 °C at 760 mmHg
Molecular Formula	C₄₀H₄₄D₆N₈O₆
Molecular Weight	744.91
Flash Point	601.7±34.3 °C
Exact Mass	744.422974
LogP	5.44
Vapour Pressure	0.0±0.3 mmHg at 25°C
Index of Refraction	1.595

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