1-苯基-8-[(1S,2S)-2-苯基环己基]-1,3,8-三氮杂螺[4.5]癸烷-4-酮 | 851337-24-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 1-苯基-8-[(1S,2S)-2-苯基环己基]-1,3,8-三氮杂螺[4.5]癸烷-4-酮
• 英文名称: (1S,2S)-1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one
• 英文别名: cis-1-Phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one；1-phenyl-8-[(1S,2S)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
• CAS: 851337-24-1
• 化学式: C₂₅H₃₁N₃O
• 分子量: 389.541
• InChiKey: XMWPUEPUQVYCIC-GOTSBHOMSA-N

物化性质

• 沸点：
  607.2±55.0 °C(Predicted)
• 密度：
  1.20

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-苯基-8-[(1S,2S)-2-苯基环己基]-1,3,8-三氮杂螺[4.5]癸烷-4-酮 、 左旋樟脑磺酸 以 甲醇 为溶剂， 反应 0.17h， 生成
  参考文献：
  名称：

  [EN] TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS
  [FR] DERIVES DE TRIAZA-SPIROPIPERIDINE A UTILISER COMME INHIBITEURS DE GLYT-1 DANS LE TRAITEMENT DE TROUBLES NEUROLOGIQUES ET NEUROPSYCHIATRIQUES

  摘要：

  该发明涉及一般式(I)的化合物，其中A-A为-CH2-CH2-，-CH2-CH2-CH2-，-CH2-0-或-0-CH2-；x为氢或羟基；R1为芳基或杂环芳基，未取代或由一个或多个取代基取代，所选取自较低烷基、较低烷氧基、卤素或三氟甲基的群组；R2为芳基或杂环芳基，未取代或由一个或多个取代基取代，所选取自较低烷基、较低烷氧基、卤素或三氟甲基的群组，或为较低烷基、-(CH2)n-环烷基、-(CH2)n-CF3、-(CH2)p-0-较低烷基、-(CH2)1,2-苯基，或者可由卤素、较低烷基、较低烷氧基或三氟甲基取代的苯基，或为-(CH2)p-NRR'，其中W和R'与N原子一起形成选自哌啶、吗啉、硫代吗啉或1,1-二氧硫代吗啉的杂环环的环；R3、R4相互独立为氢、较低烷基、苯基或苄基；R5为氢、较低烷基或苄基；R6为氢或较低烷基；n为0、1或2；p为2或3；以及其药用可接受的酸盐，用于治疗精神病、疼痛、记忆和学习中的神经退行性功能障碍、精神分裂症、痴呆症和其他认知过程受损的疾病，如注意力缺陷障碍或阿尔茨海默病。

  公开号：

  WO2005040166A1
• 作为产物：
  描述：

  2-苯基环己醇 在 盐酸 、 硫酸 、 戴斯-马丁氧化剂 、 对甲苯磺酸 、 溶剂黄146 作用下， 以 甲醇 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 48.0h， 生成 1-苯基-8-[(1S,2S)-2-苯基环己基]-1,3,8-三氮杂螺[4.5]癸烷-4-酮
  参考文献：
  名称：

  Discovery of N-(2-aryl-cyclohexyl) substituted spiropiperidines as a novel class of GlyT1 inhibitors

  摘要：

  Screening of the Roche compound library led to the identification of cis-N-(2-phenyt-cyclohexyl)-spiropiperidine 1 as structurally novel GlyT1 inhibitor. The SAR, which was developed in this series, resulted in the discovery of highly potent compounds displaying excellent selectivity against the GlyT2 isoform. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.09.075

文献信息

• Triaza-spiropiperidine derivatives
  申请人：Ceccarelli Maria Simona

  公开号：US20050107373A1

  公开（公告）日：2005-05-19

  The invention relates to compounds of the general formula wherein A-A is —CH 2 —CH 2 —, —CH 2 —CH 2 —CH 2 —, —CH 2 —O— or —O—CH 2 —; and X, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , n, and p are as defined herein, or a pharmaceutically acceptable salt thereof for the treatment of psychoses, pain, neurodegenerative dysfunction in memory and learning, schizophrenia, dementia and other diseases in which cognitive processes are impaired, such as attention deficit disorders or Alzheimer's disease.

  本发明涉及一般式化合物，其中A-A为—CH2—CH2—，—CH2—CH2—CH2—，—CH2—O—或—O—CH2—；X、R1、R2、R3、R4、R5、R6、n和p如本文所定义，或其药学上可接受的盐，用于治疗精神病、疼痛、记忆和学习的神经退行性功能障碍、精神分裂症、痴呆症和其他认知过程受损的疾病，如注意力缺陷障碍或阿尔茨海默病。
• TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP1678177B1

  公开（公告）日：2007-11-28
• PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING DRUG ADDICTION AND PREVENTING A DRUG RELAPSE
  申请人：Arizona Board of Regents, for and on behalf of, Arizona State University

  公开号：US20150141462A1

  公开（公告）日：2015-05-21

  The present invention relates to pharmaceutical compositions comprising (a) a pharmaceutically effective amount of an mGluR5 positive allosteric modulator, derivative, prodrug or a pharmaceutically acceptable salt thereof; (b) a pharmaceutically effective amount of an agent selected from an NMDA partial agonist or a GlyT1 inhibitor, derivative, prodrug or a pharmaceutically acceptable salt thereof; and (c) a pharmaceutically acceptable carrier. The present invention also relates to methods for treating drug addiction and preventing a drug relapse in a patient. The methods comprise (a) administering to the patient a pharmaceutically effective amount of an mGluR5 positive allosteric modulator, derivative, prodrug or a pharmaceutically acceptable salt thereof, or a pharmaceutical composition thereof; (b) administering to the patient a pharmaceutically effective amount of an agent selected from an NMDA partial agonist or a GlyT1 inhibitor, derivative, prodrug or a pharmaceutically acceptable salt thereof, or a pharmaceutical composition thereof.
• US7189850B2
  申请人：——

  公开号：US7189850B2

  公开（公告）日：2007-03-13
• [EN] PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING DRUG ADDICTION AND PREVENTING A DRUG RELAPSE<br/>[FR] COMPOSITIONS PHARMACEUTIQUES ET MÉTHODES DE TRAITEMENT D'UNE PHARMACODÉPENDANCE ET DE PRÉVENTION À UNE RECHUTE MÉDICAMENTEUSE
  申请人：UNIV ARIZONA

  公开号：WO2013188465A2

  公开（公告）日：2013-12-19

  The present invention relates to pharmaceutical compositions comprising (a) a pharmaceutically effective amount of an mGluR5 positive allosteric modulator, derivative, prodrug or a pharmaceutically acceptable salt thereof; (b) a pharmaceutically effective amount of an agent selected from an NMDA partial agonist or a GlyT1 inhibitor, derivative, prodrug or a pharmaceutically acceptable salt thereof; and (c) a pharmaceutically acceptable carrier. The present invention also relates to methods for treating drug addiction and preventing a drug relapse in a patient. The methods comprise (a) administering to the patient a pharmaceutically effective amount of an mGluR5 positive allosteric modulator, derivative, prodrug or a pharmaceutically acceptable salt thereof, or a pharmaceutical composition thereof; (b) administering to the patient a pharmaceutically effective amount of an agent selected from an NMDA partial agonist or a GlyT1 inhibitor, derivative, prodrug or a pharmaceutically acceptable salt thereof, or a pharmaceutical composition thereof.