Applications：
In HCV replicon cells, VX-222 dose-dependently increases IFN-β promoter activity by 5.0-fold and inhibits HCV activity with EC50 and EC90 values of 0.3 and 12 nM, respectively. Also, VX-222 rescues the Sendai virus-activated Rig-I pathway due to the inhibition of viral replication.
VX-222 is a small molecule non-nucleoside inhibitor of HCV NS5B polymerase that is being investigated for the treatment of hepatitis C virus infection.
| Pubchem Sid | 504769833 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769833 |
| Canonical Smiles | CC1CCC(CC1)C(=O)N(C2CCC(CC2)O)C3=C(SC(=C3)C#CC(C)(C)C)C(=O)O |
| IUPAC Name | 5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid |
| InChIKey | WPMJNLCLKAKMLA-UHFFFAOYSA-N |
| INCHI | 1S/C25H35NO4S/c1-16-5-7-17(8-6-16)23(28)26(18-9-11-19(27)12-10-18)21-15-20(13-14-25(2,3)4)31-22(21)24(29)30/h15-19,27H,5-12H2,1-4H3,(H,29,30) |
| Isomeric SMILES | CC1CCC(CC1)C(=O)N(C2CCC(CC2)O)C3=C(SC(=C3)C#CC(C)(C)C)C(=O)O |
| Alternate CAS | 1026785-55-6 |
| PubChem CID | 24798764 |
| Molecular Weight | 445.63 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiophenes |
| Subclass | Thiophene carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiophene carboxylic acids |
| Alternative Parents | 2,3,5-trisubstituted thiophenes Cyclohexanols Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiophene carboxylic acid - 2,3,5-trisubstituted thiophene - Cyclohexanol - Cyclic alcohol - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2224371 | Certificate of Analysis | Mar 11, 2026 | V127611 |
| H2224372 | Certificate of Analysis | Mar 11, 2026 | V127611 |
| H2224373 | Certificate of Analysis | Mar 11, 2026 | V127611 |
| H2224374 | Certificate of Analysis | Jun 24, 2022 | V127611 |
| Solubility | DMSO 89 mg/mL Water <1 mg/mL Ethanol 89 mg/mL |
|---|---|
| Molecular Weight | 445.600 g/mol |
| XLogP3 | 5.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 445.229 Da |
| Monoisotopic Mass | 445.229 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 717.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
