Simeprevir sodium
Cat. No.：YN252014
| 产品名称: | Simeprevir sodium |
| CAS No.: | 1241946-89-3 |
| Chemical Name: | (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxo-cyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a( |
| Synonyms: | 西咪匹韦钠; TMC435 sodium; TMC435350 sodium |
| 分子量: | 749.94128 |
| 分子式: | C38H47N5O7S2 • XNa |
| SMILES: | O=C(NS(C1CC1)(=O)=O)[C@]([C@]2([H])/C=C\CCCCN(C)C([C@@]3([H])[C@@]4([H])C[C@@H](OC5=CC(C6=NC(C(C)C)=CS6)=NC7=C5C=CC(OC)=C7C)C3)=O)(C2)NC4=O.[Na] |
| 存储: | Please store the product under the recommended conditions in theCertificate of Analysis. |
| 运输: | Room temperature in continental US; may vary elsewhere. |
| 产品描述: | Simeprevir (TMC435; TMC435350) sodium 是一种有效、高特异性且具有口服活性的丙型肝炎病毒 (HCV) NS3/4A蛋白酶抑制剂，Ki值为 0.36 nM，并抑制HCV复制，EC50值为 7.8 nM。Simeprevir sodium 还能有效抑制SARS-CoV-2的复制，并与瑞德西韦 (Remdesivir) 具有协同作用。Simeprevir sodium 可抑制 SARS-CoV-2 的主要蛋白酶 (Mpro) 和 RNA 依赖性 RNA 聚合酶 (RdRp)， |
| IC50和靶点: | |
| In Vitro: | |
| In Vivo: | |
| Clinical Trial: | |
| Solvent & Solubility: |
Raboisson, P., de Kock, H., Rosenquist, A., et al.Structure-activity relationship study on a novel series of cyclopentane-containing macrocyclic inhibitors of the hepatitis C virus NS3/4A protease leading to the discovery of TMC435350Bioorg. Med. Chem. Lett.18(17),4853-4858(2008)
Lin, T.-I., Lenz, O., Fanning, G., et al.In vitro activity and preclinical profile of TMC435350, a potent hepatitis C virus protease inhibitorAntimicrob. Agents Chemother.53(4),1377-1385(2009)
