4-{2-[2-(1-pyrrolidinyl)ethyl]-1-benzofuran-5-yl}benzonitrile | 460746-50-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 4-{2-[2-(1-pyrrolidinyl)ethyl]-1-benzofuran-5-yl}benzonitrile
• 英文别名: 4-{2-[2-(-pyrrolidinyl)ethyl]-1-benzofuran-5-yl}benzonitrile；4-[2-(2-Pyrrolidin-1-yl-ethyl)-benzofuran-5-yl]-benzonitrile；4-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile
• CAS: 460746-50-3
• 化学式: C₂₁H₂₀N₂O
• 分子量: 316.403
• InChiKey: NAQIDFISILZVAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  40.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-[2-(2-羟基乙基)-1-苯并呋喃-5-基]苯甲腈 在 三乙胺 作用下， 以 乙腈 为溶剂， 生成 4-{2-[2-(1-pyrrolidinyl)ethyl]-1-benzofuran-5-yl}benzonitrile
  参考文献：
  名称：

  A new class of potent non-imidazole H3 antagonists: 2-aminoethylbenzofurans

  摘要：

  2-Aminoethylbenzofurans constitute a new class of H-3 antagonists that are more rotationally constrained than most previously reported H-3 antagonists. They retain high potency at human and rat receptors, with efficient CNS penetration observed in 35. The SAR of the basic amine moiety was compared in three different series of analogues. The greatest potency was found in analogues bearing a 2-methylpyrrolidine, a 2,5-dimethylpyrrolidine, or a 2,6-dimethylpiperidine. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.032

文献信息

• Novel amines as histamine-3 receptor ligands and their therapeutic applications
  申请人：——

  公开号：US20020169188A1

  公开（公告）日：2002-11-14

  Compounds of formula (I) 1 or a pharmaceutically acceptable salts or prodrug thereof which are useful for the modulation of the histamine-3 receptors in mammals and which are useful for the treatment of disorders ameliorated by histamine-3 receptor ligands.

  化合物的公式(I)1或其药用可接受的盐或前药，对哺乳动物的组胺-3受体进行调节是有用的，并且对组胺-3受体配体改善的疾病的治疗是有用的。
• Amines as histamine-3 receptor ligands and their therapeutic applications
  申请人：Abbott Laboratories

  公开号：US07538138B2

  公开（公告）日：2009-05-26

  Compounds of formula (I) or a pharmaceutically acceptable salts or prodrug thereof which are useful for the modulation of the histamine-3 receptors in mammals and which are useful for the treatment of disorders ameliorated by histamine-3 receptor ligands.

  公式（I）的化合物或其药学上可接受的盐或前药，对哺乳动物组织中组胺-3受体的调节具有有用作用，并且对通过组胺-3受体配体改善的疾病的治疗具有有用作用。
• US6969730B2
  申请人：——

  公开号：US6969730B2

  公开（公告）日：2005-11-29
• US7538138B2
  申请人：——

  公开号：US7538138B2

  公开（公告）日：2009-05-26