3-(3,5-Bis-trifluoromethyl-phenyl)-1-(4-oxo-1-phenyl-cyclohexyl)-piperidin-2-one | 479195-14-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-(3,5-Bis-trifluoromethyl-phenyl)-1-(4-oxo-1-phenyl-cyclohexyl)-piperidin-2-one
• 英文别名: 3-[3,5-Bis(trifluoromethyl)phenyl]-1-(4-oxo-1-phenylcyclohexyl)piperidin-2-one；3-[3,5-bis(trifluoromethyl)phenyl]-1-(4-oxo-1-phenylcyclohexyl)piperidin-2-one
• CAS: 479195-14-7
• 化学式: C₂₅H₂₃F₆NO₂
• 分子量: 483.454
• InChiKey: HDHALFRTQWGGFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-(3,5-Bis-trifluoromethyl-phenyl)-1-(4-oxo-1-phenyl-cyclohexyl)-piperidin-2-one 、 2-噁唑-8-氮杂螺[4.5]癸烷 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 3-(3,5-Bis-trifluoromethyl-phenyl)-1-[4-(2-oxa-8-aza-spiro[4.5]dec-8-yl)-1-phenyl-cyclohexyl]-piperidin-2-one 、 3-(3,5-Bis-trifluoromethyl-phenyl)-1-[4-(2-oxa-8-aza-spiro[4.5]dec-8-yl)-1-phenyl-cyclohexyl]-piperidin-2-one
  参考文献：
  名称：

  Novel lactam NK1 antagonists with anti-emetic activity

  摘要：

  A series of 4,4-disubstituted cyclohexylamine NK1 antagonists containing a lactam ring is described. The compounds are brain penetrant and activity is demonstrated in a ferret emesis model. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.111
• 作为产物：
  描述：

  2-(3,5-Bis-trifluoromethyl-phenyl)-hex-5-enoic acid (8-phenyl-1,4-dioxa-spiro[4.5]dec-8-yl)-amide 在 盐酸 、 2,6-二叔丁基-4-甲基吡啶 、 四溴化碳 、 sodium hydride 、 臭氧 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 丙酮 为溶剂， 生成 3-(3,5-Bis-trifluoromethyl-phenyl)-1-(4-oxo-1-phenyl-cyclohexyl)-piperidin-2-one
  参考文献：
  名称：

  Novel lactam NK1 antagonists with anti-emetic activity

  摘要：

  A series of 4,4-disubstituted cyclohexylamine NK1 antagonists containing a lactam ring is described. The compounds are brain penetrant and activity is demonstrated in a ferret emesis model. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.111

文献信息

• [EN] GEM-DISUBSTITUTED CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS<br/>[FR] DERIVES DE CYCLOHEXANE DISUBSTITUES PAR MGM ET LEUR UTILISATION COMME AGENTS THERAPEUTIQUES
  申请人：MERCK SHARP & DOHME

  公开号：WO2002102372A1

  公开（公告）日：2002-12-27

  The present invention relates compounds of the formula (I): wherein R?1, R2, R3, R4, R5, R6, R7, R8, R9 and R10¿ represent a variety of substituents; ring A is a phenyl or pyridyl ring; d is zero, 1 or 2; and pharmaceutically acceptable salts and N-oxides thereof. The compounds are of particular use in the treatment or prevention of depression, anxiety, pain, inflammation, migraine, emesis or postherpetic neuralgia.

  本发明涉及式(I)的化合物：其中，R1，R2，R3，R4，R5，R6，R7，R8，R9和R10表示各种取代基；环A是苯环或吡啶环；d为零，1或2；以及其药学上可接受的盐和N-氧化物。该化合物特别适用于治疗或预防抑郁症、焦虑症、疼痛、炎症、偏头痛、恶心或带状疱疹后神经痛。
• Gem-disubstituted cyclohexane derivatives and their use as therapeutic agents
  申请人：——

  公开号：US20040171642A1

  公开（公告）日：2004-09-02

  The present invention relates compounds of the formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 and R 10 represent a variety of substituents, ring A is a phenyl or pyridyl ring; d is zero, 1 or 2; and pharmaceutically acceptable salts and N-oxides thereof. The compounds are of particular use in the treatment or prevention of depression, anxiety, pain, inflammation, migraine, emesis or postherpetic neuralgia. 1

  本发明涉及式(I)的化合物：其中R1、R2、R3、R4、R5、R6、R7、R8、R9和R10代表各种取代基，环A是苯环或吡啶环；d为零、1或2；以及其药学上可接受的盐和N-氧化物。这些化合物在治疗或预防抑郁症、焦虑症、疼痛、炎症、偏头痛、呕吐或带状疱疹后神经痛方面具有特殊用途。
• US7253205B2
  申请人：——

  公开号：US7253205B2

  公开（公告）日：2007-08-07
• Novel lactam NK1 antagonists with anti-emetic activity
  作者：Gregory J. Hollingworth、Emma J. Carlson、José L. Castro、Gary G. Chicchi、Natalie Clark、Laura C. Cooper、Olivier Dirat、Jerry Di Salvo、Jason M. Elliott、Ruth Kilburn、Marc M. Kurtz、Wayne Rycroft、F. David Tattersall、Kwei-Lan Tsao、Christopher J. Swain

  DOI：10.1016/j.bmcl.2005.11.111

  日期：2006.3

  A series of 4,4-disubstituted cyclohexylamine NK1 antagonists containing a lactam ring is described. The compounds are brain penetrant and activity is demonstrated in a ferret emesis model. (C) 2006 Elsevier Ltd. All rights reserved.