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1000787-75-6,MFCD18251457
Catalog No.:AA008TH3

1000787-75-6 | Tegobuvir

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$138.00   $96.00
- +
5mg
≥98%
in stock  
$513.00   $359.00
- +
10mg
≥98%
in stock  
$939.00   $657.00
- +
25mg
≥98%
in stock  
$1,535.00   $1,074.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA008TH3
Chemical Name:
Tegobuvir
CAS Number:
1000787-75-6
Molecular Formula:
C25H14F7N5
Molecular Weight:
517.4010
MDL Number:
MFCD18251457
SMILES:
Fc1ccccc1c1nc2c(n1)cn(cc2)Cc1ccc(nn1)c1ccc(cc1C(F)(F)F)C(F)(F)F
Properties
Computed Properties
 
Complexity:
765  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
11  
Rotatable Bond Count:
4  
XLogP3:
4.7  

Downstream Synthesis Route

[1]CurrentPatentAssignee:KATHOLIEKEUNIVERSITEITLEUVEN-US2008/199427,2008,A1Locationinpatent:Page/Pagecolumn8-9

[2]CurrentPatentAssignee:KATHOLIEKEUNIVERSITEITLEUVEN-US2009/36460,2009,A1Locationinpatent:Page/Pagecolumn9;10

[1]Patent:US2008/199427,2008,A1.Locationinpatent:Page/Pagecolumn6-7

[2]Patent:WO2013/40492,2013,A2.Locationinpatent:Page/Pagecolumn58-59

153254-09-2   
aq.Na2CO3 
  1000787-75-6 

[1]Patent:US2011/306541,2011,A1

[1]Patent:US2013/273005,2013,A1

[2]Patent:WO2013/40492,2013,A2

Literature

Title: Inhibition of hepatitis C virus replication by GS-6620, a potent C-nucleoside monophosphate prodrug.

Journal: Antimicrobial agents and chemotherapy 20140401

Title: Imidazopyridazine hepatitis C virus polymerase inhibitors. Structure-activity relationship studies and the discovery of a novel, traceless prodrug mechanism.

Journal: Journal of medicinal chemistry 20140313

Title: Preclinical characterization of the novel hepatitis C virus NS3 protease inhibitor GS-9451.

Journal: Antimicrobial agents and chemotherapy 20140201

Title: In vitro efficacy of approved and experimental antivirals against novel genotype 3 hepatitis C virus subgenomic replicons.

Journal: Antiviral research 20131101

Title: Tegobuvir (GS-9190) potency against HCV chimeric replicons derived from consensus NS5B sequences from genotypes 2b, 3a, 4a, 5a, and 6a.

Journal: Virology 20120720

Title: Integrated structure-based activity prediction model of benzothiadiazines on various genotypes of HCV NS5b polymerase (1a, 1b and 4) and its application in the discovery of new derivatives.

Journal: Bioorganic & medicinal chemistry 20120401

Title: The HCV non-nucleoside inhibitor Tegobuvir utilizes a novel mechanism of action to inhibit NS5B polymerase function.

Journal: PloS one 20120101

Title: Bae AS, et al. Allele-specific real-time PCR system for detection of subpopulations of genotype 1a and 1b hepatitis C NS5B Y448H mutant viruses in clinical samples. J Clin Microbiol. 2011 Sep;49(9):3168-74.

Title: Hebner CM, et al. The HCV non-nucleoside inhibitor Tegobuvir utilizes a novel mechanism of action to inhibit NS5B polymerase function.PLoS One. 2012;7(6):e39163.

Title: Wong KA, et al. Tegobuvir (GS-9190) potency against HCV chimeric replicons derived from consensus NS5B sequences from genotypes 2b, 3a, 4a, 5a, and 6a. Virology. 2012 Jul 20;429(1):57-62.

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