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VX-222 (VCH-222, Lomibuvir) - ≥99%, high purity , CAS No.1026785-59-0

COA

Grade & Purity:

≥99%

Cas Number: 1026785-59-0
Molecular Weight: 445.63
PubChem CID: 24798764
PubChem SID: 504769833

In stock

Item Number

V127611

Grouped product items
SKU	Size	Availability	Price
V127611-1mg	1mg	1	$202.90
V127611-5mg	5mg	1	$274.90
V127611-10mg	10mg	1	$446.90
V127611-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,545.90

View related series

Anti-infection (2803) Cell Cycle (2830) HCV (160) Virus (1811)

Basic Description

Synonyms	AS-19557 \| 1026785-55-6 (or 1026785-59-0) \| NCGC00386146-02 \| SCHEMBL15498313 \| VCH222 \| VCH-222 \| s1480 \| VX-222 (VCH-222, Lomibuvir) \| EINECS 202-403-9 \| KBio3_002752 \| LOMIBUVIR [INN] \| 5-(3,3-dimethyl-but-1-ynyl)-3-[(cis-4-hydroxy-cyclohexyl)-(trans-4
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	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.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiophenes
    - Subclass Thiophene carboxylic acids and derivatives

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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504769833
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769833
IUPAC Name	5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
INCHI	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)
InChIKey	WPMJNLCLKAKMLA-UHFFFAOYSA-N
Smiles	CC1CCC(CC1)C(=O)N(C2CCC(CC2)O)C3=C(SC(=C3)C#CC(C)(C)C)C(=O)O
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

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
H2224373	Certificate of Analysis	Jun 20, 2024	V127611
H2224371	Certificate of Analysis	Jun 20, 2024	V127611
H2224372	Certificate of Analysis	Jun 20, 2024	V127611
H2224374	Certificate of Analysis	Jun 24, 2022	V127611

Chemical and Physical Properties

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 Å²
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

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