4-(4-Morpholin-4-ylcyclohex-3-en-1-yl)phenol | 1333477-94-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 4-(4-Morpholin-4-ylcyclohex-3-en-1-yl)phenol
• CAS: 1333477-94-3
• 化学式: C₁₆H₂₁NO₂
• 分子量: 259.348
• InChiKey: UJSXVVKLVJSYBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-Morpholin-4-ylcyclohex-3-en-1-yl)phenol 在 sodium tetrahydroborate 、 sodium hydroxide 、 盐酸 作用下， 以 甲醇 、 1,2-二氯乙烷 、 水 为溶剂， 生成
  参考文献：
  名称：

  Novel and highly potent histamine H3 receptor ligands. Part 2: Exploring the cyclohexylamine-based series

  摘要：

  Synthesis and biological evaluation of novel and potent cyclohexylamine-based histamine H3 receptor inverse agonists are described. Compounds in this newly identified series exhibited subnanomolar binding affinities for human receptor and no significant interaction with hERG channel. One derivative (10t) demonstrated enhanced in vivo efficiency and preferential brain distribution, both properties suitable for potential clinical evaluation. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.102
• 作为产物：
  描述：

  吗啉 、 4-(4-羟基苯基)环己酮 在 APTS 作用下， 以 甲苯 为溶剂， 反应 10.0h， 生成 4-(4-Morpholin-4-ylcyclohex-3-en-1-yl)phenol
  参考文献：
  名称：

  Novel and highly potent histamine H3 receptor ligands. Part 2: Exploring the cyclohexylamine-based series

  摘要：

  Synthesis and biological evaluation of novel and potent cyclohexylamine-based histamine H3 receptor inverse agonists are described. Compounds in this newly identified series exhibited subnanomolar binding affinities for human receptor and no significant interaction with hERG channel. One derivative (10t) demonstrated enhanced in vivo efficiency and preferential brain distribution, both properties suitable for potential clinical evaluation. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.102

文献信息

• Trans-Dekalincarbonitrile
  申请人：MERCK PATENT GmbH

  公开号：EP0127816B1

  公开（公告）日：1987-08-19