MK-8876 , CAS No.1426960-33-9

CAS: 1426960-33-9 Cat. No.: M1422070 PubChem CID: 71509114

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

MK-8876 is an inhibitor of HCV NS5b site D , which can be used in the research of hepatitis C virus.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CNC(=O)C1=C(OC2=CC(=C(C=C21)C3=NC4=C(C=C3)OCN5C4=CC6=C5C=CC=C6F)N(C)S(=O)(=O)C)C7=CC=C(C=C7)F
• IUPAC Name: 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• InChIKey: GOHCXBUFLQKEIO-UHFFFAOYSA-N
• INCHI: 1S/C32H24F2N4O5S/c1-35-32(39)29-21-13-20(25(37(2)44(3,40)41)15-28(21)43-31(29)17-7-9-18(33)10-8-17)23-11-12-27-30(36-23)26-14-19-22(34)5-4-6-24(19)38(26)16-42-27/h4-15H,16H2,1-3H3,(H,35,39)
• Isomeric SMILES: CNC(=O)C1=C(OC2=CC(=C(C=C21)C3=NC4=C(C=C3)OCN5C4=CC6=C5C=CC=C6F)N(C)S(=O)(=O)C)C7=CC=C(C=C7)F
• Alternate CAS: 1426960-33-9
• PubChem CID: 71509114

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class 2-arylbenzofuran flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: 2-arylbenzofuran flavonoids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-arylbenzofuran flavonoids
• Alternative Parents: Lignans, neolignans and related compounds 2-phenylbenzofurans Sulfanilides Indoles Furan-3-carboxylic acid and derivatives Fluorobenzenes Aryl fluorides Pyridines and derivatives Organosulfonamides Organic sulfonamides Heteroaromatic compounds Aminosulfonyl compounds Pyrroles Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-arylbenzofuran flavonoid - Neolignan skeleton - 2-phenylbenzofuran - Phenylbenzofuran - Sulfanilide - Benzofuran - Indole - Indole or derivatives - Furoic acid or derivatives - Furan-3-carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Organic sulfonic acid amide - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Furan - Heteroaromatic compound - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.
• 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