[4-[4-(4-Fluorophenyl)piperidin-1-yl]-1-phenylcyclohexyl]methanamine | 488098-32-4

• 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: [4-[4-(4-Fluorophenyl)piperidin-1-yl]-1-phenylcyclohexyl]methanamine
• CAS: 488098-32-4
• 化学式: C₂₄H₃₁FN₂
• 分子量: 366.522
• InChiKey: PNKOQOXXZHKWOR-UHFFFAOYSA-N

物化性质

• 沸点：
  487.2±45.0 °C(Predicted)
• 密度：
  1.099±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,5-双三氟甲基苯甲醛 、 [4-[4-(4-Fluorophenyl)piperidin-1-yl]-1-phenylcyclohexyl]methanamine 在 sodium cyanoborohydride 、 zinc(II) chloride 作用下， 以 甲醇 为溶剂， 生成 、
  参考文献：
  名称：

  4,4-Disubstituted cyclohexylamine NK1 receptor antagonists I

  摘要：

  A series of novel 4,4-disubstituted cyclohexylamine based NK1 antagonists is described. The effect of changes to the C-1-C-4 relative stereochemistry on the cyclohexane ring and replacements for the flexible linker are discussed, leading to the identification of compounds with high affinity and good in vivo duration of action. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00249-4
• 作为产物：
  描述：

  4-氰-4-苯基环己酮 在 palladium on activated charcoal 盐酸 、 氢气 、 sodium cyanoborohydride 、 zinc(II) chloride 作用下， 以 甲醇 为溶剂， 生成 [4-[4-(4-Fluorophenyl)piperidin-1-yl]-1-phenylcyclohexyl]methanamine
  参考文献：
  名称：

  4,4-Disubstituted cyclohexylamine NK1 receptor antagonists I

  摘要：

  A series of novel 4,4-disubstituted cyclohexylamine based NK1 antagonists is described. The effect of changes to the C-1-C-4 relative stereochemistry on the cyclohexane ring and replacements for the flexible linker are discussed, leading to the identification of compounds with high affinity and good in vivo duration of action. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00249-4

文献信息

• Cyclohexyl derivatives and their use as therapeutic agents
  申请人：——

  公开号：US20030225059A1

  公开（公告）日：2003-12-04

  The present invention relates compounds of the formula (I): wherein ring A is a phenyl or pyridyl ring; X represents a linker selected from the group consisting of: (a), (b), (c), (d), (e), (f), (g), (h), (i), (j), (k), (l) and R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 13 , R 14 , R 15 , R 16 , R?17, R 18 , R 19 , R 21a and R 21b are as defined herein. The compounds are of particular use in the treatment or prevention of depression, anxiety, pain, inflammation, migraine, emesis or postherpetic neuralgia. 1 2

  本发明涉及以下式(I)的化合物：其中环A是苯环或吡啶环；X代表从以下组中选择的连接基：(a)、(b)、(c)、(d)、(e)、(f)、(g)、(h)、(i)、(j)、(k)、(l)和R，R1、R2、R3、R4、R5、R6、R7、R13、R14、R15、R16、R?17、R18、R19、R21a和R21b如本文所定义。这些化合物在治疗或预防抑郁症、焦虑、疼痛、炎症、偏头痛、呕吐或带状疱疹后神经痛方面特别有用。
• US6953792B2
  申请人：——

  公开号：US6953792B2

  公开（公告）日：2005-10-11
• 4,4-Disubstituted cyclohexylamine NK1 receptor antagonists I
  作者：Jason M Elliott、Jose L Castro、Gary G Chicchi、Laura C Cooper、Kevin Dinnell、Gregory J Hollingworth、Mark P Ridgill、Wayne Rycroft、Marc M Kurtz、Duncan E Shaw、Christopher J Swain、Kwei-Lan Tsao、Lihu Yang

  DOI：10.1016/s0960-894x(02)00249-4

  日期：2002.7

  A series of novel 4,4-disubstituted cyclohexylamine based NK1 antagonists is described. The effect of changes to the C-1-C-4 relative stereochemistry on the cyclohexane ring and replacements for the flexible linker are discussed, leading to the identification of compounds with high affinity and good in vivo duration of action. (C) 2002 Elsevier Science Ltd. All rights reserved.