VCH-916 - Moligand™,≥98% , CAS No.1200133-34-1

CAS: 1200133-34-1 Cat. No.: V128073 Fórmula: C₂₆H₃₆KNO₄S Peso molecular: 497.73 PubChem CID: 46930992

GRADE & PURITY Moligand™, ≥98%

Synonyms

HY-13465 | VCH916 | VCH-916 | F84913 | potassium,5-(cyclohexen-1-yl)-3-[(4-methoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate | potassium;5-(cyclohexen-1-yl)-3-[(4-methoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

VCH-916 is a thiophene derivative and non-nucleoside inhibitor of HCV NS5B polymerase with sub-micromolar IC50 values versus genotype 1a and 1b replicons. VCH-916 binds to Thumb Site II. VCH-916 can be used for the research of hepatitis c virus (hcv) infection.

Specifications

Sinónimos

HY-13465 | VCH916 | VCH-916 | F84913 | potassium,5-(cyclohexen-1-yl)-3-[(4-methoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate | potassium;5-(cyclohexen-1-yl)-3-[(4-methoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-

Especificaciones y pureza

Moligand™,≥98%

Mecanismos bioquímicos y fisiológicos

VCH-916 es un nuevo inhibidor alostérico de la polimerasa NS5B del VHC. La ARN polimerasa dependiente del ARN (NS5B) del VHC es una de las dianas validadas más atractivas para el desarrollo de nuevos fármacos que bloqueen la infección por

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1CCC(CC1)C(=O)N(C2CCC(CC2)OC)C3=C(SC(=C3)C4=CCCCC4)C(=O)[O-].[K+]
• IUPAC Name: potassium;5-(cyclohexen-1-yl)-3-[(4-methoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate
• InChIKey: RYXIBQLRUHDYEE-UHFFFAOYSA-M
• INCHI: 1S/C26H37NO4S.K/c1-17-8-10-19(11-9-17)25(28)27(20-12-14-21(31-2)15-13-20)22-16-23(32-24(22)26(29)30)18-6-4-3-5-7-18;/h6,16-17,19-21H,3-5,7-15H2,1-2H3,(H,29,30);/q;+1/p-1
• Isómeros SMILES: CC1CCC(CC1)C(=O)N(C2CCC(CC2)OC)C3=C(SC(=C3)C4=CCCCC4)C(=O)[O-].[K+]
• PubChem CID: 46930992
• Peso molecular: 497.73

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxylic acids
• Alternative Parents: 2,3,5-trisubstituted thiophenes Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Carboxylic acid salts Amino acids Dialkyl ethers Carboxylic acids Organic zwitterions Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiophene carboxylic acid - 2,3,5-trisubstituted thiophene - Tertiary carboxylic acid amide - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Tertiary amine - Amino acid - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic salt - Amine - Organic potassium salt - Organic zwitterion - Aromatic heteromonocyclic compound
• Descripción: 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

Data sources

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

Propiedades químicas y físicas

• Solubilidad: DMSO
• Sensibilidad: Moisture sensitive
• Peso molecular: 497.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 497.2 Da
• Monoisotopic Mass: 497.2 Da
• Topological Polar Surface Area: 97.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 700.000
• 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: 2

XLogP3

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1200133-34-1, the molecular formula is C26H36KNO4S, and the molecular weight is 497.73 g/mol. InChIKey RYXIBQLRUHDYEE-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.