tert-butyl 4-(2-(1-hydroxycyclohexyl)-2-{3-[(trimethylsilyl)ethynyl]phenyl}ethyl)piperazine-1-carboxylate | 850618-42-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tert-butyl 4-(2-(1-hydroxycyclohexyl)-2-{3-[(trimethylsilyl)ethynyl]phenyl}ethyl)piperazine-1-carboxylate
• 英文别名: tert-butyl 4-[2-(1-hydroxycyclohexyl)-2-[3-(2-trimethylsilylethynyl)phenyl]ethyl]piperazine-1-carboxylate
• CAS: 850618-42-7
• 化学式: C₂₈H₄₄N₂O₃Si
• 分子量: 484.754
• InChiKey: ILQWXRXDTBUGBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.25
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  53
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(2-(1-hydroxycyclohexyl)-2-{3-[(trimethylsilyl)ethynyl]phenyl}ethyl)piperazine-1-carboxylate 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以80%的产率得到tert-butyl 4-(2-(3-ethynylphenyl)-2-(1-hydroxycyclohexyl)ethyl)piperazine-1-carboxylate
  参考文献：
  名称：

  [EN] ARYLALKYL- AND CYCLOALKYLALKYL-PIPERAZINE DERIVATIVES AND METHODS OF THEIR USE
  [FR] DERIVES D'ARYLALKYL-PIPERAZINE ET DE CYCLOALKYLALKYL-PIPERAZINE ET METHODES D'UTILISATION ASSOCIEES

  摘要：

  本发明涉及芳基烷基和环烷基哌嗪衍生物，含有这些衍生物的组合物，以及它们用于预防和治疗由单胺再摄取改善的病况的方法，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，神经系统疾病等，特别是那些选自主要抑郁症、血管运动症状、压力性和切望性尿失禁、纤维肌痛综合征、疼痛、糖尿病性神经病变等病况的组合物。

  公开号：

  WO2005037807A1

文献信息

• Substituted aryl cycloalkanol derivatives and methods of their use
  申请人：Trybulski John Eugene

  公开号：US20050143579A1

  公开（公告）日：2005-06-30

  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, 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再摄取改善的病况，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，特别是从包括重度抑郁症、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一组疾病中选择的那些病状。
• 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。
• Alkanol and cycloalkanol-amine derivatives and methods of their use
  申请人：Trybulski John Eugene

  公开号：US20050171115A1

  公开（公告）日：2005-08-04

  The present invention is directed to alkanoyl and cycloalkanoyl-amine 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.

  本发明涉及醇基和环酰基-胺衍生物，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疾病，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，以及其中的组合，特别是从以下组合中选择的那些疾病：重度抑郁症，血管运动症状，压力和切望性尿失禁，纤维肌痛，疼痛，糖尿病神经病变以及其中的组合。
• Substituted N-heterocycle derivatives and methods of their use
  申请人：Mahaney Erin Paige

  公开号：US20050187251A1

  公开（公告）日：2005-08-25

  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，用于预防和治疗通过单胺再摄取改善的疾病，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，以及其中的组合，特别是从包括重度抑郁症，血管运动症状，应激和急迫性尿失禁，纤维肌痛，疼痛，糖尿病性神经病变以及其中的组合中选择的那些疾病。
• 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。