Home Other Building Blocks Nesbuvir

Nesbuvir

CAS No.:
691852-58-1
Catalog Number:
AG00FC0L
Molecular Formula:
C22H23FN2O5S
Molecular Weight:
446.4918
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$550
- +
10mg
98%
1 week
United States
$740
- +
50mg
98%
1 week
United States
$2557
- +
Product Description
Catalog Number:
AG00FC0L
Chemical Name:
Nesbuvir
CAS Number:
691852-58-1
Molecular Formula:
C22H23FN2O5S
Molecular Weight:
446.4918
MDL Number:
MFCD22208574
IUPAC Name:
5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide
InChI:
InChI=1S/C22H23FN2O5S/c1-24-22(27)20-17-11-16(13-3-4-13)18(25(9-10-26)31(2,28)29)12-19(17)30-21(20)14-5-7-15(23)8-6-14/h5-8,11-13,26H,3-4,9-10H2,1-2H3,(H,24,27)
InChI Key:
WTDWVLJJJOTABN-UHFFFAOYSA-N
SMILES:
OCCN(S(=O)(=O)C)c1cc2oc(c(c2cc1C1CC1)C(=O)NC)c1ccc(cc1)F
UNII:
EYK815W3Z8
Properties
Complexity:
748  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.131g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
446.493g/mol
Monoisotopic Mass:
446.131g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Hepatitis C replication inhibitors that target the viral NS4B protein. Journal of medicinal chemistry 20140313
In vitro characterization of GSK2485852, a novel hepatitis C virus polymerase inhibitor. Antimicrobial agents and chemotherapy 20131101
In vitro efficacy of approved and experimental antivirals against novel genotype 3 hepatitis C virus subgenomic replicons. Antiviral research 20131101
Restoration of the activated Rig-I pathway in hepatitis C virus (HCV) replicon cells by HCV protease, polymerase, and NS5A inhibitors in vitro at clinically relevant concentrations. Antimicrobial agents and chemotherapy 20130901
Discovery of substituted N-phenylbenzenesulphonamides as a novel class of non-nucleoside hepatitis C virus polymerase inhibitors. Antiviral research 20120801
MK-5172, a selective inhibitor of hepatitis C virus NS3/4a protease with broad activity across genotypes and resistant variants. Antimicrobial agents and chemotherapy 20120801
Cellular growth kinetics distinguish a cyclophilin inhibitor from an HSP90 inhibitor as a selective inhibitor of hepatitis C virus. PloS one 20120101
The hepatitis C virus (HCV) NS4B RNA binding inhibitor clemizole is highly synergistic with HCV protease inhibitors. The Journal of infectious diseases 20100701
Mechanisms of activity and inhibition of the hepatitis C virus RNA-dependent RNA polymerase. The Journal of biological chemistry 20100430
Inhibitors of hepatitis C virus polymerase: synthesis and characterization of novel 2-oxy-6-fluoro-N-((S)-1-hydroxy-3-phenylpropan-2-yl)-benzamides. Bioorganic & medicinal chemistry letters 20100401
Slow binding inhibition and mechanism of resistance of non-nucleoside polymerase inhibitors of hepatitis C virus. The Journal of biological chemistry 20090605
Substituted imidazopyridines as potent inhibitors of HCV replication. Journal of hepatology 20090501
Severe hepatocellular injury with apoptosis induced by a hepatitis C polymerase inhibitor. Journal of clinical gastroenterology 20090401
HCV796: A selective nonstructural protein 5B polymerase inhibitor with potent anti-hepatitis C virus activity in vitro, in mice with chimeric human livers, and in humans infected with hepatitis C virus. Hepatology (Baltimore, Md.) 20090301
Molecular mechanism of hepatitis C virus replicon variants with reduced susceptibility to a benzofuran inhibitor, HCV-796. Antimicrobial agents and chemotherapy 20080901
Existence of hepatitis C virus NS5B variants naturally resistant to non-nucleoside, but not to nucleoside, polymerase inhibitors among untreated patients. The Journal of antimicrobial chemotherapy 20080601
The hepatitis C virus replicon presents a higher barrier to resistance to nucleoside analogs than to nonnucleoside polymerase or protease inhibitors. Antimicrobial agents and chemotherapy 20080501
Properties