methyl 2-(3-oxo-3H-spiro[isobenzofuran-1,4''-piperidine]-1''-yl)-1H-benzo[d]imidazole-5-carboxylate | 438191-05-0

• 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: methyl 2-(3-oxo-3H-spiro[isobenzofuran-1,4''-piperidine]-1''-yl)-1H-benzo[d]imidazole-5-carboxylate
• 英文别名: methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate
• CAS: 438191-05-0
• 化学式: C₂₁H₁₉N₃O₄
• 分子量: 377.4
• InChiKey: HEZGTATZCDHJOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  84.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 生成 methyl 2-(3-oxo-3H-spiro[isobenzofuran-1,4''-piperidine]-1''-yl)-1H-benzo[d]imidazole-5-carboxylate
  参考文献：
  名称：

  Design, syntheses, and structure–activity relationships of novel NPY Y5 receptor antagonists: 2-{3-Oxospiro[isobenzofuran-1(3H),4′-piperidin]-1′-yl}benzimidazole derivatives

  摘要：

  Design, syntheses, and structure-activity relationships of a novel class of 2-{3-oxospiro[isobenzofuran-1(3H),4'-piperidin]-1'-yl}benzimidazole NPY Y5 receptor antagonists are described. The benzimidazole structures were newly designed based on the urea linkage of our prototype Y5 receptor antagonists (2 and 3). By optimizing substituents on the benzimidazole core part of the lead compound 5a, we were able to develop a potent, orally available, and brain-penetrable Y5 selective antagonist (5k). Crown Copyright (C) 2008 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.018

文献信息

• Treatment of circadian rhythm disorders with NPY Y5 receptor antagonist
  申请人：Matos Fatima Francisca

  公开号：US20050119283A1

  公开（公告）日：2005-06-02

  A method for treating circadian rhythm disorders in mammals comprising administering to a mammal an effective amount of an NPY Y5 receptor antagonist. In particular, a method is provided for enhancing the effects of light on circadian rhythm.

  一种治疗哺乳动物昼夜节律紊乱的方法，包括向哺乳动物施用有效量的 NPY Y5 受体拮抗剂。特别是提供了一种增强光对昼夜节律影响的方法。
• Treatment of neurological disorders related to rapid eye movement (REM) sleep disturbances with NPY Y5 receptor antagonists
  申请人：Matos Fatima Francisca

  公开号：US20050119285A1

  公开（公告）日：2005-06-02

  This invention relates to a method for treating and preventing neurological disorders related to rapid-eye-movement (REM) sleep disturbances in a mammal comprising administering to the mammal an amount of an NPY Y5 receptor antagonist which effectively reduces REM sleep.

  本发明涉及一种治疗和预防与哺乳动物快速眼动（REM）睡眠障碍有关的神经系统疾病的方法，该方法包括向哺乳动物施用一定量的 NPY Y5 受体拮抗剂，这种拮抗剂可有效减少快速眼动睡眠。