Home Other Building Blocks 1009119-65-6
1009119-65-6,MFCD25541736
Catalog No.:AA00033R

1009119-65-6 | Daclatasvir dihydrochloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10mg
98+%
in stock  
$6.00   $4.00
- +
50mg
98+%
in stock  
$7.00   $5.00
- +
250mg
98+%
in stock  
$14.00   $10.00
- +
1g
98+%
in stock  
$37.00   $26.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00033R
Chemical Name:
Daclatasvir dihydrochloride
CAS Number:
1009119-65-6
Molecular Formula:
C40H52Cl2N8O6
Molecular Weight:
811.7969
MDL Number:
MFCD25541736
SMILES:
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)c1ccc(cc1)c1ccc(cc1)c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)C(C)C.Cl.Cl
Properties
Computed Properties
 
Complexity:
1190  
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
4  
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
6  
Rotatable Bond Count:
13  

Downstream Synthesis Route

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2008/50336,2008,A1Locationinpatent:Page/Pagecolumn89-90

[2]CurrentPatentAssignee:VIATRISINC-WO2016/178250,2016,A1

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2009/43107,2009,A1Locationinpatent:Page/Pagecolumn9-10

[2]CurrentPatentAssignee:JIANGSUSULIFINECHEMICAL-CN105753844,2016,ALocationinpatent:Paragraph0033;0034

[3]CurrentPatentAssignee:SHANGHAISTEPUPPHARMACEUTICALTECH-CN106432204,2017,ALocationinpatent:Paragraph0095-0101

[4]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2009/43107,2009,A1Locationinpatent:Page/Pagecolumn10

[5]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2009/43107,2009,A1Locationinpatent:Page/Pagecolumn11

[6]CurrentPatentAssignee:GLENMARKPHARMACEUTICALSLTD-WO2018/15847,2018,A1Locationinpatent:Paragraph0128

[7]CurrentPatentAssignee:GLENMARKPHARMACEUTICALSLTD-WO2018/15847,2018,A1

[8]CurrentPatentAssignee:COUNCILOFSCIENTIFICANDINDUSTRIALRESEARCH(IN)-US2020/346182,2020,A1Locationinpatent:Paragraph0174-0180

[1]CurrentPatentAssignee:ANHUIYELLENPHARMACEUTICAL-CN107501243,2017,ALocationinpatent:Paragraph0021

[2]CurrentPatentAssignee:CIPLALTD-WO2016/102979,2016,A1Locationinpatent:Page/Pagecolumn27

[3]CurrentPatentAssignee:JIANGSUSULIFINECHEMICAL-CN105753844,2016,ALocationinpatent:Paragraph0044;0045

[4]CurrentPatentAssignee:VIATRISINC-WO2016/178250,2016,A1Locationinpatent:Page/Pagecolumn26

[5]CurrentPatentAssignee:LAURUSLABSLIMITED-WO2017/21904,2017,A1Locationinpatent:Page/Pagecolumn24;25

[6]CurrentPatentAssignee:SICHUANTONGSHENGBIOPHARMACEUTICAL-CN106256825,2016,ALocationinpatent:Paragraph0071-0073

[7]CurrentPatentAssignee:GLENMARKPHARMACEUTICALSLTD-WO2018/15847,2018,A1Locationinpatent:Paragraph0130;0131

[8]CurrentPatentAssignee:MSNLABORATORIESPRIVATELIMITED-WO2018/134842,2018,A1Locationinpatent:Page/Pagecolumn36-37

1007882-23-6   
methylN-(1S)-1-(2S)-2-5-4-4-2-(2S)-1-(2S)-2-(methoxycarbonylamino)-3-methyl-butanoylpyrrolidin-2-yl-1H-imidazol-5-ylphenylphenyl-1H-imidazol-2-ylpyrrolidine-1-carbonyl-2-methyl-propylcarbamatedihydrochloride 

[1]Patent:CN105753844,2016,A

[2]Patent:WO2016/178250,2016,A1

[3]Patent:WO2017/21904,2017,A1

[4]Patent:CN107501243,2017,A

[5]Patent:WO2018/15847,2018,A1

[6]Patent:WO2018/15847,2018,A1

[7]Patent:US2008/50336,2008,A1

[1]CurrentPatentAssignee:SUZHOUBUYUEPHARMACEUTICAL-CN105622583,2016,ALocationinpatent:Paragraph0034;0035;0036

[2]CurrentPatentAssignee:SHANGHAISTEPOVRECHEM-CN105461701,2016,ALocationinpatent:Paragraph0045-0048

[3]CurrentPatentAssignee:ANHUILIANCHUANGBIOLOGICALMEDICINE-CN105777719,2016,ALocationinpatent:Paragraph0028;0046;0047;0048

Literature

Title: Biotransformation of Daclatasvir In Vitro and in Nonclinical Species: Formation of the Main Metabolite by Pyrrolidine δ-Oxidation and Rearrangement.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20160601

Title: Daclatasvir: A NS5A Replication Complex Inhibitor for Hepatitis C Infection.

Journal: The Annals of pharmacotherapy 20160101

Title: Design, synthesis and evaluation of novel anti-HCV molecules that deliver intracellularly three highly potent NS5A inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20150901

Title: Design and synthesis of imidazole N-H substituted amide prodrugs as inhibitors of hepatitis C virus replication.

Journal: Bioorganic & medicinal chemistry letters 20150815

Title: Daclatasvir-like inhibitors of NS5A block early biogenesis of hepatitis C virus-induced membranous replication factories, independent of RNA replication.

Journal: Gastroenterology 20141101

Title: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir.

Journal: Journal of medicinal chemistry 20140313

Title: Synthesis and evaluation of non-dimeric HCV NS5A inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20130401

Title: Modeling shows that the NS5A inhibitor daclatasvir has two modes of action and yields a shorter estimate of the hepatitis C virus half-life.

Journal: Proceedings of the National Academy of Sciences of the United States of America 20130305

Title: Combination treatment with hepatitis C virus protease and NS5A inhibitors is effective against recombinant genotype 1a, 2a, and 3a viruses.

Journal: Antimicrobial agents and chemotherapy 20130301

Title: Combinations of lambda interferon with direct-acting antiviral agents are highly efficient in suppressing hepatitis C virus replication.

Journal: Antimicrobial agents and chemotherapy 20130301

Title: HCV NS5A replication complex inhibitors. Part 3: discovery of potent analogs with distinct core topologies.

Journal: Bioorganic & medicinal chemistry letters 20130201

Title: Daclatasvir: potential role in hepatitis C.

Journal: Drug design, development and therapy 20130101

Title: HCV NS5A replication complex inhibitors. Part 2: investigation of stilbene prolinamides.

Journal: Bioorganic & medicinal chemistry letters 20121001

Title: Correlation between NS5A dimerization and hepatitis C virus replication.

Journal: The Journal of biological chemistry 20120831

Title: 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.

Journal: Journal of chromatography. A 20120706

Title: In vitro activity of BMS-790052 on hepatitis C virus genotype 4 NS5A.

Journal: Antimicrobial agents and chemotherapy 20120301

Title: Treatment of chronic hepatitis C--are interferons really necessary?

Journal: Liver international : official journal of the International Association for the Study of the Liver 20120201

Title: Preliminary study of two antiviral agents for hepatitis C genotype 1.

Journal: The New England journal of medicine 20120119

Title: Small molecules targeting hepatitis C virus-encoded NS5A cause subcellular redistribution of their target: insights into compound modes of action.

Journal: Journal of virology 20110701

Title: Resistance analysis of the hepatitis C virus NS5A inhibitor BMS-790052 in an in vitro replicon system.

Journal: Antimicrobial agents and chemotherapy 20100901

Title: Chemical genetics strategy identifies an HCV NS5A inhibitor with a potent clinical effect.

Journal: Nature 20100506

Title: 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.

Title: 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.

Title: 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.

Title: 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.

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Tags:1009119-65-6 Molecular Formula|1009119-65-6 MDL|1009119-65-6 SMILES|1009119-65-6 Daclatasvir dihydrochloride