(S)-tert-butyl 2-(7-(5-(2-(1-((tert-butoxycarbonyl)amino)cyclobutyl)-1H-benzo[d]imidazol-6-yl)thiophen-2-yl)-1H-naphtho[1,2-d]imidazol-2-yl)pyrrolidine-1-carboxylate | 1426331-28-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (S)-tert-butyl 2-(7-(5-(2-(1-((tert-butoxycarbonyl)amino)cyclobutyl)-1H-benzo[d]imidazol-6-yl)thiophen-2-yl)-1H-naphtho[1,2-d]imidazol-2-yl)pyrrolidine-1-carboxylate
• 英文别名: tert-butyl (2S)-2-[7-[5-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-3H-benzimidazol-5-yl]thiophen-2-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidine-1-carboxylate
• CAS: 1426331-28-3
• 化学式: C₄₀H₄₄N₆O₄S
• 分子量: 704.893
• InChiKey: HRPGSXSJRWZDHX-PMERELPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  51
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  154
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• [EN] ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX
  申请人：LUPIN LTD

  公开号：WO2013030750A1

  公开（公告）日：2013-03-07

  Compounds of the general formula (I), their tautomeric forms, their stereoisomers, their analogs, their prodrugs, their isotopes, their N-oxides, their metabolites, their pharmaceutically acceptable salts, polymorphs, solvates, optical isomers, clathrates, co-crystals, combinations with suitable medicament, pharmaceutical compositions containing them, methods of making of the above compounds, and their use as antiviral candidate, more specifically as anti-HCV are disclosed.

  本发明公开了一般式（I）的化合物，它们的互变异构体，立体异构体，类似物，前药，同位素，N-氧化物，代谢物，药学上可接受的盐，多晶体，溶剂合物，光学异构体，笼合物，与适当药物的组合，含有它们的制药组合物，上述化合物的制备方法，以及它们作为抗病毒候选物，更具体地作为抗HCV的用途。