Daclatasvir-d6

Modify Date: 2023-01-17 13:12:14

Daclatasvir-d6 Structure
Daclatasvir-d6 structure
Common Name Daclatasvir-d6
CAS Number 1801709-41-0 Molecular Weight 744.91
Density 1.3±0.1 g/cm3 Boiling Point 1071.2±65.0 °C at 760 mmHg
Molecular Formula C40H44D6N8O6 Melting Point N/A
MSDS N/A Flash Point 601.7±34.3 °C

 Use of Daclatasvir-d6


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].

 Names

Name Daclatasvir-d6
Synonym More Synonyms

 Daclatasvir-d6 Biological Activity

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
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.

 Chemical & Physical Properties

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

 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