(S)-tert-butyl 2-(8-(4-(2-((1S,2S)-2-((tert-butoxycarbonyl)amino)cyclopentyl)-1H-benzo[d]imidazol-6-yl)phenyl)-4,5-dihydro-3H-benzo[2,3]oxepino[4,5-d]imidazol-2-yl)pyrrolidine-1-carboxylate | 1422422-30-7

• 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-(8-(4-(2-((1S,2S)-2-((tert-butoxycarbonyl)amino)cyclopentyl)-1H-benzo[d]imidazol-6-yl)phenyl)-4,5-dihydro-3H-benzo[2,3]oxepino[4,5-d]imidazol-2-yl)pyrrolidine-1-carboxylate
• 英文别名: tert-butyl (2S)-2-[8-[4-[2-[(1S,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]-3H-benzimidazol-5-yl]phenyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-2-yl]pyrrolidine-1-carboxylate
• CAS: 1422422-30-7
• 化学式: C₄₃H₅₀N₆O₅
• 分子量: 730.907
• InChiKey: IKNGDISJQDOZST-SVFJEUMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  54
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  135
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• [EN] ANTIVIRAL COMPOUNDS WITH A FUSED TRICYCLIC RING<br/>[FR] COMPOSÉS ANTIVIRAUX À NOYAU TRICYCLIQUE CONDENSÉ
  申请人：LUPIN LTD

  公开号：WO2013021337A1

  公开（公告）日：2013-02-14

  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.

  本文披露了一般式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、代谢产物、药物可接受的盐、多晶型、溶剂化物、光学异构体、笼合物、与适当药物的组合、包含它们的制药组合物、制备上述化合物的方法，以及它们作为抗病毒候选剂，更具体地作为抗HCV药物的用途。