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Tegobuvir

CAS No.:
1000787-75-6
Catalog Number:
AG008TJV
Molecular Formula:
C25H14F7N5
Molecular Weight:
517.4010
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$543
- +
10mg
98%
1 week
United States
$890
- +
50mg
98%
1 week
United States
$2557
- +
Product Description
Catalog Number:
AG008TJV
Chemical Name:
Tegobuvir
CAS Number:
1000787-75-6
Molecular Formula:
C25H14F7N5
Molecular Weight:
517.4010
MDL Number:
MFCD18251457
IUPAC Name:
5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine
InChI:
InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2
InChI Key:
XBEQSQDCBSKCHJ-UHFFFAOYSA-N
SMILES:
Fc1ccccc1c1nc2c(n1)cn(cc2)Cc1ccc(nn1)c1ccc(cc1C(F)(F)F)C(F)(F)F
UNII:
5NOK5X389M
Properties
Complexity:
765  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
517.114g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
517.411g/mol
Monoisotopic Mass:
517.114g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Inhibition of hepatitis C virus replication by GS-6620, a potent C-nucleoside monophosphate prodrug. Antimicrobial agents and chemotherapy 20140401
Imidazopyridazine hepatitis C virus polymerase inhibitors. Structure-activity relationship studies and the discovery of a novel, traceless prodrug mechanism. Journal of medicinal chemistry 20140313
Preclinical characterization of the novel hepatitis C virus NS3 protease inhibitor GS-9451. Antimicrobial agents and chemotherapy 20140201
In vitro efficacy of approved and experimental antivirals against novel genotype 3 hepatitis C virus subgenomic replicons. Antiviral research 20131101
Tegobuvir (GS-9190) potency against HCV chimeric replicons derived from consensus NS5B sequences from genotypes 2b, 3a, 4a, 5a, and 6a. Virology 20120720
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. Bioorganic & medicinal chemistry 20120401
The HCV non-nucleoside inhibitor Tegobuvir utilizes a novel mechanism of action to inhibit NS5B polymerase function. PloS one 20120101
Properties