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Velpatasvir

CAS No.:
1377049-84-7
Catalog Number:
AG0039NU
Molecular Formula:
C49H54N8O8
Molecular Weight:
883.0019
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
≥98%
1 week
United States
$91
- +
50mg
≥98%
1 week
United States
$153
- +
100mg
≥98%
1 week
United States
$214
- +
250mg
≥98%
1 week
United States
$396
- +
Product Description
Catalog Number:
AG0039NU
Chemical Name:
Velpatasvir
CAS Number:
1377049-84-7
Molecular Formula:
C49H54N8O8
Molecular Weight:
883.0019
MDL Number:
MFCD28411371
IUPAC Name:
methyl N-[(1R)-2-[(2S,4S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
InChI:
InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1
InChI Key:
FHCUMDQMBHQXKK-CDIODLITSA-N
SMILES:
COC[C@H]1C[C@H](N(C1)C(=O)[C@@H](c1ccccc1)NC(=O)OC)c1ncc([nH]1)c1ccc2c(c1)COc1c2cc2ccc3c(c2c1)[nH]c(n3)[C@@H]1CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C
UNII:
KCU0C7RS7Z
Properties
Complexity:
1690  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
882.406g/mol
Formal Charge:
0
Heavy Atom Count:
65  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
883.019g/mol
Monoisotopic Mass:
882.406g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
193A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  
Literature
Title Journal
Sofosbuvir, Velpatasvir, and Voxilaprevir for Previously Treated HCV Infection. The New England journal of medicine 20170601
Preclinical Pharmacokinetics and First-in-Human Pharmacokinetics, Safety, and Tolerability of Velpatasvir, a Pangenotypic Hepatitis C Virus NS5A Inhibitor, in Healthy Subjects. Antimicrobial agents and chemotherapy 20170501
Clinical Resistance to Velpatasvir (GS-5816), a Novel Pan-Genotypic Inhibitor of the Hepatitis C Virus NS5A Protein. Antimicrobial agents and chemotherapy 20160901
A phase 1, randomized, dose-ranging study of GS-5816, a once-daily NS5A inhibitor, in patients with genotype 1-4 hepatitis C virus. Journal of viral hepatitis 20151201
An update on the management of chronic hepatitis C: 2015 Consensus guidelines from the Canadian Association for the Study of the Liver. Canadian journal of gastroenterology & hepatology 20150101
Potent hepatitis C inhibitors bind directly to NS5A and reduce its affinity for RNA. Scientific reports 20140101
Small molecules targeting hepatitis C virus-encoded NS5A cause subcellular redistribution of their target: insights into compound modes of action. Journal of virology 20110701
Properties