Dasabuvir sodium monohydrate , Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor, CAS No.1456607-55-8, Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor

CAS: 1456607-55-8 Cat. No.: D671290 Peso molecular: 533.6 PubChem CID: 73671732

Synonyms

exviera | sodium 3-(3-t-butyl-4-methoxy-5-{6-[(methylsulfonyl)amino]naphthalene-2-yl}phenyl)-2,6-dioxo-3,6-dihydro-2h-pyrimidin-1-ide hydrate | Methanesulfonamide, N-(6-(5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl)-2-

Storage

Room temperature

Specifications

Sinónimos

exviera | sodium 3-(3-t-butyl-4-methoxy-5-{6-[(methylsulfonyl)amino]naphthalene-2-yl}phenyl)-2, 6-dioxo-3, 6-dihydro-2h-pyrimidin-1-ide hydrate | Methanesulfonamide, N-(6-(5-(3, 4-dihydro-2, 4-dioxo-1(2H)-pyrimidinyl)-3-(1, 1-dimethylethyl)-2-methoxyphenyl)-2-

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

INHIBITOR

Mecanismo de acción

Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)C1=CC(=CC(=C1OC)C2=CC3=C(C=C2)C=C(C=C3)NS(=O)(=O)C)N4C=CC(=O)[N-]C4=O.O.[Na+]
• IUPAC Name: sodium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-3-id-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;hydrate
• InChIKey: SJHKKWUESHNTBB-UHFFFAOYSA-M
• INCHI: 1S/C26H27N3O5S.Na.H2O/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18;;/h6-15,28H,1-5H3,(H,27,30,31);;1H2/q;+1;/p-1
• Isómeros SMILES: CC(C)(C)C1=CC(=CC(=C1OC)C2=CC3=C(C=C2)C=C(C=C3)NS(=O)(=O)C)N4C=CC(=O)[N-]C4=O.O.[Na+]
• PubChem CID: 73671732
• Peso molecular: 533.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Phenylnaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Phenylnaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylnaphthalenes
• Alternative Parents: Sulfanilides Phenylpropanes Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Pyrimidones Alkyl aryl ethers Organosulfonamides Organic sulfonamides Hydropyrimidines Vinylogous amides Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylnaphthalene - Sulfanilide - Phenylpropane - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Organic sulfonic acid amide - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Heteroaromatic compound - Ether - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic zwitterion - Organic salt - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl 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