SML2648

Lomibuvir

≥98% (HPLC)

• Synonyme(s) : 5-(3,3-Dimethyl-1-butyn-1-yl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]-2-thiophenecarboxylic acid, 5-(3,3-Dimethyl-1-butynyl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]thiophene-2-carboxylic acid, 5-(3,3-Dimethyl-but-1-ynyl)-3-[(trans-4-hydroxy-cyclohexyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid, VCH 222, VCH-222, VCH222, VX 222, VX-222, VX222
• Formule empirique (notation de Hill) : C₂₅H₃₅NO₄S
• CAS Number: 1026785-55-6
• Poids moléculaire : 445.61
• Numéro MDL: MFCD24444577
• Code UNSPSC : 12352200
• Nomenclature NACRES : NA.77

Propriétés

• Essai: ≥98% (HPLC)
• Forme: powder
• Couleur: white to beige
• Solubilité: DMSO: 2 mg/mL, clear
• Température de stockage: −20°C
• Chaîne SMILES: [s]1c(c(cc1C#CC(C)(C)C)N([C@@H]3CC[C@H](CC3)O)C(=O)[C@@H]2CC[C@H](CC2)C)C(=O)O
• 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)/t16-,17-,18-,19-
• Clé InChI: WPMJNLCLKAKMLA-VVPTUSLJSA-N

Description

Actions biochimiques/physiologiques

Lomibuvir (VX-222; VCH-222) is a non-cytotoxic, orally active non-nucleoside inhibitor (NNI) against hepatitis C virus (HCV) NS5B RNA-dependent RNA polymerase (genotype 1a/1b IC₅₀ = 0.94/1.2 μM). Lomibuvir exhibits HCV genotype-selective antiviral activity in vitro (genotype 1a//1b EC₅₀ = 23.3 nM/12 nM; ineffective against 2a & 2b) and in vivo by targeting HCV NS5B thumb II allosteric pocket, exhibiting no inhibitory potency against human DNA polymerase (α, β, γ IC₅₀ ≥56 μM), respiratory syncytial virus, Influenza A and B, and West Nile virus.

Non-cytotoxic, orally active hepatitis C virus (HCV) NS5B RNA polymerase inhibitor with HCV genotype 1a/1b-selective antiviral activity in vitro and in vivo.

Informations sur la sécurité

• Code de la classe de stockage: 11 - Combustible Solids
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable