2-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1H-benzo[d]imidazole | 1379113-11-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1H-benzo[d]imidazole
• 英文别名: 2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole
• CAS: 1379113-11-7
• 化学式: C₂₀H₂₃N₃O
• 分子量: 321.422
• InChiKey: DQHHGJIDSIEIRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  41.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  邻苯二胺 在 sodium hydroxide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 2-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1H-benzo[d]imidazole
  参考文献：
  名称：

  Synthesis, biological activity and molecular modeling studies on 1H-benzimidazole derivatives as acetylcholinesterase inhibitors

  摘要：

  A series of N-(2-[4-(1H-benzimidazole-2-yl)phenoxy]ethyl}substituted amine derivatives were designed to assess cholinesterase inhibitor activities. Acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) inhibitor activities were evaluated in vitro by using Ellman's method. It was discovered that most of the compounds displayed AChE and/or BuChE inhibitor activity and few compounds were selective against AChE/BuChE. Compound 3c and 3e were the most active compounds in the series against eeAChE and hAChE, respectively. Molecular docking studies and molecular dynamics simulations were also carried out. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.06.065

文献信息

• Aryl-substituted benzimidazole and imidazopyridine ethers
  申请人：Breitenbucher Guy J.

  公开号：US20060004039A1

  公开（公告）日：2006-01-05

  Aryl substituted benzimidazole and imidazo[4,5]pyridine ethers are described as inhibitors of Cds1 and useful as adjuvants to chemotherapy or radiation therapy in the treatment of cancer.

  芳基取代的苯并咪唑和咪唑[4,5]吡啶醚被描述为Cds1的抑制剂，并在癌症治疗中作为化疗或放疗的辅助剂。
• US7250427B2
  申请人：——

  公开号：US7250427B2

  公开（公告）日：2007-07-31