Name: Voxilaprevir
Brand: BOC Sciences
Rating: 5 (1 reviews)

Voxilaprevir

Category	HCV Protease
CAS	1535212-07-7
Description	Voxilaprevir (GS-9857) is a noncovalent, reversible inhibitor of HCV NS3/4A protease inhibitor (PI) with pangenotypic antiviral activity. Voxilaprevir inhibits genotype 1b and 3a wild-type NS3 proteases with Ki values of 0.038 nM and 0.066 nM, respectively. Voxilaprevir is an orally active direct-acting antiviral agent (DAA) and can be used for HCV infection research.

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Product Information

Synonyms

Voxilaprevir|1535212-07-7|GS9857|UNII-0570F37359|(1R,18R,20R,24S,27S,28S)-24-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-28-ethyl-13,13-difluoro-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxamide|0570F37359|GS-9857|Voxilaprevir [USAN:INN]|Voxilaprevir (USAN/INN)|C40H52F4N6O9S|CHEMBL4474855|SCHEMBL15412621|EX-A5390|DB12026|HY-19840|CS-0017027|J3.665.048F|D10899|Q27236086|(1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1 R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-18,18-difluoro-14- methoxy-3,6-dioxo-1,1a,3,4,5,6,9,1 0,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19]|L9P

Molecular Weight

868.93

Molecular Formula

C40H52F4N6O9S

Canonical SMILES

CCC1C2CN(C1C(=O)NC3(CC3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)C(NC(=O)OC5CC5CCCCC(C6=NC7=C(C=C(C=C7)OC)N=C6O2)(F)F)C(C)(C)C

Purity

99.67%

Density

1.4±0.1 g/cm3

Solubility

In vitro:
10 mM in DMSO

Appearance

White to off-white (Solid)

Storage

Powder:
-20°C: 3 years
4°C: 2 years
In solvent:
-80°C: 6 months
-20°C: 1 month

Complexity

1780

Exact Mass

868.34526108

Index Of Refraction

1.596

In Vitro

NS3/4A protease is essential for proteolytic cleavage of the HCV encoded polyprotein (intomature forms of NS3, NS4A, NS4B, NS5A and NS5B proteins) and hence for viral replication.
In enzymatic assays using recombinant NS3 protease domains and isogenic NS4A peptide cofactors provided in trans. Voxilaprevir is against HCV genotype 1b and 3a NS3 proteases with Ki values of 0.038 nM and 0.066 nM, respectively.
In stable cell lines (Huh-7-Lunet or Huh7-1C cells) expressing renilla luciferase-encoding HCV replicons. Voxilaprevir exhibits potent pangenotypic antiviral activity with EC50 ranging from 0.33 to 6.6 nM across genotypes 1 to 6. Voxilaprevir is against HCV replicon strain DQ314805, H77, Con1, JFH-1, J6,J8 (full length) and HM568433, SA13 (NS3 Chimera) with IC50 values of 0.33 nM, 3.9 nM, 3.3 nM, 3.7 nM, 4.5 nM, 1.8 nM, and 6.6 nM, 1.9 nM, respectively.

PSA

203.60000

Target

Hepatitis C virus (HCV) nonstructural protein (NS) 3/4A protease

XLogP3-AA

5.9

Description of First Aid Measures

Eye contact

Remove any contact lenses, locate eye-wash station, and flush eyes immediately with large amounts of water. Separate eyelids with fingers to ensure adequate flushing. Promptly call a physician.

Skin contact

Rinse skin thoroughly with large amounts of water. Remove contaminated clothing and shoes and call a physician.

Inhalation

Immediately relocate self or casualty to fresh air. If breathing is difficult, give cardiopulmonary resuscitation (CPR). Avoid mouth-to-mouth resuscitation.

Ingestion

Wash out mouth with water; Do NOT induce vomiting; call a physician.

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