2-[(2-benzotriazol-1-ylmethyl)-benzimidazol-1-yl]-1-phenyl-ethanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[(2-benzotriazol-1-ylmethyl)-benzimidazol-1-yl]-1-phenyl-ethanone
• 英文别名: 2-[2-(Benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenyl-ethanone；2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenylethanone
• 化学式: C₂₂H₁₇N₅O
• 分子量: 367.41
• InChiKey: ULGBLUCQWPWEQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  65.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[(2-benzotriazol-1-ylmethyl)-benzimidazol-1-yl]-1-phenyl-ethanone 在 sodium tetrahydroborate 作用下， 生成 2-(2-Benzotriazol-1-ylmethyl-benzoimidazol-1-yl)-1-phenyl-ethanol
  参考文献：
  名称：

  Fundamental structure–Activity relationships associated with a new structural class of respiratory syncytial virus inhibitor

  摘要：

  Structure-activity relationships surrounding the dialkylamino side chain of a series of benzotriazole-derived inhibitors of respiratory syncytial virus fusion based on the screening lead 1a were examined. The results indicate that the topology of the side chain is important but the terminus element offers considerable latitude to modulate physical properties. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00383-4

文献信息

• Substituted benzimidazole antiviral agents
  申请人：——

  公开号：US20030139450A1

  公开（公告）日：2003-07-24

  The present invention concerns antiviral compounds, their compositions, and use in the treatment of viral infections. More particularly, the invention provides benzimidazole derivatives for the treatment of respiratory syncytial virus infection.

  本发明涉及抗病毒化合物、它们的组合物以及在治疗病毒感染中的应用。更具体地说，本发明提供苯并咪唑衍生物用于治疗呼吸道合胞病毒感染。
• SUBSTITUTED BENZIMIDAZOLE ANTIVIRAL AGENTS
  申请人：Bristol-Myers Squibb Company

  公开号：EP1098644A1

  公开（公告）日：2001-05-16
• US6908936B2
  申请人：——

  公开号：US6908936B2

  公开（公告）日：2005-06-21
• US7030140B2
  申请人：——

  公开号：US7030140B2

  公开（公告）日：2006-04-18
• [EN] SUBSTITUTED BENZIMIDAZOLE ANTIVIRAL AGENTS<br/>[FR] ANTIVIRAUX A BASE DE BENZIMIDAZOLES SUBSTITUES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2000004900A1

  公开（公告）日：2000-02-03

  The present invention concerns antiviral compounds, their compositions, and use in the treatment of viral infections. More particularly, the invention provides benzimidazole derivatives for the treatment of respiratory syncytial virus infection.