methyl 4-{[4-({[4-(cyclopentyloxy)-1,2-benzisoxazol-3-yl]oxy}methyl)piperidin-1-yl]methyl}tetrahydro-2H-pyran-4-carboxylate | 907608-10-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异恶唑并吡啶类
• 英文名称: methyl 4-{[4-({[4-(cyclopentyloxy)-1,2-benzisoxazol-3-yl]oxy}methyl)piperidin-1-yl]methyl}tetrahydro-2H-pyran-4-carboxylate
• 英文别名: methyl 4-[[4-[(4-cyclopentyloxy-1,2-benzoxazol-3-yl)oxymethyl]piperidin-1-yl]methyl]oxane-4-carboxylate
• CAS: 907608-10-0
• 化学式: C₂₆H₃₆N₂O₆
• 分子量: 472.582
• InChiKey: WJRIGIJRXQUPOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  83.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  methyl 4-{[4-({[4-(cyclopentyloxy)-1,2-benzisoxazol-3-yl]oxy}methyl)piperidin-1-yl]methyl}tetrahydro-2H-pyran-4-carboxylate 在 三氟乙酸 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 tert-butyl (3S)-4-[1-[(4-chlorophenyl)methyl]-4-cyanopiperidin-4-yl]-3-methylpiperazine-1-carboxylate
  参考文献：
  名称：

  WO2006/88919

  摘要：

  公开号：
• 作为产物：
  描述：

  5,6-dichloro-N-ethylnicotinamide 、 5-Bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid 在 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 methyl 4-{[4-({[4-(cyclopentyloxy)-1,2-benzisoxazol-3-yl]oxy}methyl)piperidin-1-yl]methyl}tetrahydro-2H-pyran-4-carboxylate
  参考文献：
  名称：

  WO2006/88919

  摘要：

  公开号：

文献信息

• Benzisoxazole Derivatives
  申请人：Noguchi Hirohide

  公开号：US20080207690A1

  公开（公告）日：2008-08-28

  This invention relates to compounds of the formula (I): wherein A, B, R 1 , R 4 , m, and n are each as described herein or a pharmaceutically acceptable salt thereof, and compositions containing such compounds and the use of such compounds in the treatment of a condition mediated by 5-HT 4 receptor activity such as, but not limited to, gastroesophageal reflux disease, gastrointestinal disease, gastric motility disorder, non-ulcer dyspepsia, functional dyspepsia, irritable bowel syndrome (IBS), constipation, dyspepsia, esophagitis, gastroesophageral disease, nausea, central 10 nervous system disease, Alzheimer's disease, cognitive disorder, emesis, migraine, neurological disease, pain, cardiovascular disorders such as cardiac failure and heart arrhythmia, diabetes and apnea syndrome.

  本发明涉及化合物的公式（I）：其中A，B，R1，R4，m和n分别如本文所述或其药学上可接受的盐，并包含这些化合物的组合物以及这些化合物在治疗由5-HT4受体活性介导的疾病中的使用，例如但不限于胃食管反流病，胃肠道疾病，胃动力障碍，非溃疡性消化不良，功能性消化不良，肠易激综合症（IBS），便秘，消化不良，食管炎，胃食管疾病，恶心，中枢神经系统疾病，阿尔茨海默病，认知障碍，呕吐，偏头痛，神经系统疾病，疼痛，心血管疾病，如心力衰竭和心律失常，糖尿病和呼吸暂停综合症。
• Benzisoxazole derivatives
  申请人：Noguchi Hirohide

  公开号：US08816090B2

  公开（公告）日：2014-08-26

  This invention relates to compounds of the formula (I): wherein A, B, R1, R4, m, and n are each as described herein or a pharmaceutically acceptable salt thereof, and compositions containing such compounds and the use of such compounds in the treatment of a condition mediated by 5-HT4 receptor activity such as, but not limited to, gastroesophageal reflux disease, gastrointestinal disease, gastric motility disorder, non-ulcer dyspepsia, functional dyspepsia, irritable bowel syndrome (IBS), constipation, dyspepsia, esophagitis, gastroesophageral disease, nausea, central 10 nervous system disease, Alzheimer's disease, cognitive disorder, emesis, migraine, neurological disease, pain, cardiovascular disorders such as cardiac failure and heart arrhythmia, diabetes and apnea syndrome.

  本发明涉及式(I)的化合物，其中A、B、R1、R4、m和n分别如本文所述或其药学上可接受的盐，以及含有此类化合物的组合物和利用此类化合物治疗由5-HT4受体活性介导的疾病，例如但不限于胃食管反流病、胃肠疾病、胃动力障碍、非溃疡性消化不良、功能性消化不良、肠易激综合征（IBS）、便秘、消化不良、食管炎、胃食管疾病、恶心、中枢神经系统疾病、阿尔茨海默病、认知障碍、呕吐、偏头痛、神经系统疾病、疼痛、心血管疾病如心力衰竭和心律失常、糖尿病和呼吸暂停综合征。
• BENZISOXAZOLE DERIVATIVES
  申请人：Pfizer, Inc.

  公开号：EP1856114A1

  公开（公告）日：2007-11-21
• US8816090B2
  申请人：——

  公开号：US8816090B2

  公开（公告）日：2014-08-26
• [EN] BENZISOXAZOLE DERIVATIVES<br/>[FR] DERIVES DE BENZISOXAZOLE
  申请人：PFIZER JAPAN INC

  公开号：WO2006090224A1

  公开（公告）日：2006-08-31

  [EN] This invention relates to compounds of the formula (I): wherein A, B, R¹, R⁴, m, and n are each as described herein or a pharmaceutically acceptable salt thereof, and compositions containing such compounds and the use of such compounds in the treatment of a condition mediated by 5-HT₄ receptor activity such as, but not limited to, gastroesophageal reflux disease, gastrointestinal disease, gastric motility disorder, non-ulcer dyspepsia, functional dyspepsia, irritable bowel syndrome (IBS), constipation, dyspepsia, esophagitis, gastroesophageral disease, nausea, central 10 nervous system disease, Alzheimer's disease, cognitive disorder, emesis, migraine, neurological disease, pain, cardiovascular disorders such as cardiac failure and heart arrhythmia, diabetes and apnea syndrome.
  [FR] L'invention concerne des composés de formule (I): dans laquelle A, B, R¹, R⁴, m et n sont chacun tels que définis dans la description, ou un sel pharmaceutiquement acceptable de ceux-ci, ainsi que des compositions contenant ces composés et l'utilisation de ces composés dans le traitement d'un état induit par l'activité du récepteur 5-HT₄, tel que, entre autres, la maladie du reflux gastro-oesophagien, les maladies gastro-intestinales, les troubles de la motilité gastrique, la dyspepsie non ulcéreuse, la dyspepsie fonctionnelle, le syndrome du côlon irritable, la constipation, la dyspepsie, l'oesophagite, les maladies gastro-oesophagiennes, les nausées, les maladies du système nerveux central, la maladie d'Alzheimer, les troubles cognitifs, les vomissements, la migraine, les maladies neurologiques, la douleur, les troubles cardio-vasculaires, tels que l'insuffisance cardiaque et l'arythmie cardiaque, le diabète et le syndrome d'apnée.