(1-methyl-1H-indol-3-yl)(1-hydroxycyclohexyl)acetic acid | 1044660-47-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (1-methyl-1H-indol-3-yl)(1-hydroxycyclohexyl)acetic acid
• 英文别名: 2-(1-Hydroxycyclohexyl)-2-(1-methylindol-3-yl)acetic acid
• CAS: 1044660-47-0
• 化学式: C₁₇H₂₁NO₃
• 分子量: 287.359
• InChiKey: GEKGUHANLQTTQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  62.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1-methyl-1H-indol-3-yl)(1-hydroxycyclohexyl)acetic acid 、 N-Boc-哌嗪 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以68%的产率得到tert-butyl 4-[(1-hydroxycyclohexyl)(1-methyl-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
  参考文献：
  名称：

  Heterocyclic cycloalkanol ethylamines as norepinephrine reuptake inhibitors

  摘要：

  A series of heterocyclic cycloalkanol ethylamines have been prepared to expand our norepinephrine reuptake inhibitor (NRI) program. Synthesis of a variety of heterocycles identified (+)-S-21, a potent NRI efficacious in an animal model for thermoregulatory dysfunction. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.059
• 作为产物：
  描述：

  1-甲基-3-吲哚乙酸 、 环己酮 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 (1-methyl-1H-indol-3-yl)(1-hydroxycyclohexyl)acetic acid
  参考文献：
  名称：

  Heterocyclic cycloalkanol ethylamines as norepinephrine reuptake inhibitors

  摘要：

  A series of heterocyclic cycloalkanol ethylamines have been prepared to expand our norepinephrine reuptake inhibitor (NRI) program. Synthesis of a variety of heterocycles identified (+)-S-21, a potent NRI efficacious in an animal model for thermoregulatory dysfunction. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.059

文献信息

• Arylalkyl-and cycloalkylalkyl-piperazine derivatives and methods of their use
  申请人：Mahaney Erin Paige

  公开号：US20050148595A1

  公开（公告）日：2005-07-07

  The present invention is directed to arylalkyl- and cycloalkylalkyl-piperazine derivatives, compositions containing these derivatives, and methods of their use for the prevention and treatment of conditions ameliorated by monoamine reuptake including, inter alia, vasomotor symptoms (VMS), sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders, and combinations thereof, particularly those conditions selected from the group consisting of major depressive disorder, vasomotor symptoms, stress and urge urinary incontinence, fibromyalgia, pain, diabetic neuropathy, and combinations thereof.

  本发明涉及芳基烷基和环烷基烷基哌嗪衍生物、含有这些衍生物的组合物以及它们的使用方法，用于预防和治疗通过单胺再摄取改善的症状，包括但不限于血管运动症状（VMS）、性功能障碍、胃肠和泌尿系统疾病、慢性疲劳综合症、纤维肌痛综合症、神经系统疾病和其组合，特别是选择自主神经失调综合症、血管运动症状、压力和切望性尿失禁、纤维肌痛、疼痛、糖尿病神经病变和其组合的条件。
• Fused-aryl and heteroaryl derivatives and methods of their use
  申请人：Trybulski John Eugene

  公开号：US20050192283A1

  公开（公告）日：2005-09-01

  The present invention is directed to fused-aryl and heteroaryl derivatives, compositions containing these derivatives, and methods of their use for the prevention and treatment of conditions ameliorated by monoamine reuptake including, inter alia, vasomotor symptoms (VMS), sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders, and combinations thereof, particularly those conditions selected from the group consisting of major depressive disorder, vasomotor symptoms, stress and urge urinary incontinence, fibromyalgia, pain, diabetic neuropathy, and combinations thereof.

  本发明涉及融合芳基和杂环芳基衍生物，含有这些衍生物的组合物以及它们的使用方法，用于预防和治疗通过单胺再摄取改善的状况，包括但不限于血管运动症状（VMS），性功能障碍，胃肠和泌尿系统疾病，慢性疲劳综合症，纤维肌痛综合症，神经系统疾病和其组合，特别是从以下组合中选择的状况，包括重度抑郁症，血管运动症状，压力和急迫性尿失禁，纤维肌痛，疼痛，糖尿病神经病变和其组合。
• SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE
  申请人：Mahaney Paige Erin

  公开号：US20090227585A1

  公开（公告）日：2009-09-10

  The present invention is directed to substituted N-heterocycle derivatives, compositions containing these derivatives, and methods of their use for the prevention and treatment of conditions ameliorated by monoamine reuptake including, inter alia, vasomotor symptoms (VMS), sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders, and combinations thereof, particularly those conditions selected from the group consisting of major depressive disorder, vasomotor symptoms, stress and urge urinary incontinence, fibromyalgia, pain, diabetic neuropathy, and combinations thereof.

  本发明涉及取代的N-杂环衍生物，含有这些衍生物的组合物，以及它们的使用方法，用于预防和治疗由单胺再摄取改善的病症，包括但不限于血管运动症状（VMS），性功能障碍，胃肠和泌尿系统疾病，慢性疲劳综合征，纤维肌痛综合征，神经系统疾病，以及其中的组合，特别是从包括重度抑郁障碍，血管运动症状，压力和急迫性尿失禁，纤维肌痛，疼痛，糖尿病神经病变和其中的组合的组中选择的那些病症。
• SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE
  申请人：Trybulski Eugene John

  公开号：US20080153826A1

  公开（公告）日：2008-06-26

  The present invention is directed to substituted aryl cycloalkanoyl derivatives, compositions containing these derivatives, and methods of their use for the prevention and treatment of conditions ameliorated by monoamine reuptake including, inter alia, vasomotor symptoms (VMS), sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromyalgia syndrome, nervous system disorders, and combinations thereof, particularly those conditions selected from the group consisting of major depressive disorder, vasomotor symptoms, stress and urge urinary incontinence, fibromyalgia, pain, diabetic neuropathy, and combinations thereof.

  本发明涉及取代芳基环烷酰衍生物、含有这些衍生物的组合物以及它们的使用方法，用于预防和治疗由单胺摄取改善的症状，包括但不限于血管运动症状（VMS）、性功能障碍、胃肠和泌尿系统疾病、慢性疲劳综合征、纤维肌痛综合征、神经系统疾病和其组合，特别是选择自主神经失调症、血管运动症状、压力和切迫性尿失禁、纤维肌痛、疼痛、糖尿病神经病变以及其组合的病症。
• US7419980B2
  申请人：——

  公开号：US7419980B2

  公开（公告）日：2008-09-02