N-[(4-aminophenyl)methyl]-N-methylcycloheptanamine | 945544-05-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[(4-aminophenyl)methyl]-N-methylcycloheptanamine
• CAS: 945544-05-8
• 化学式: C₁₅H₂₄N₂
• mdl: MFCD11918263
• 分子量: 232.369
• InChiKey: GHAJDSASKXRJHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-[(4-aminophenyl)methyl]-N-methylcycloheptanamine 生成 cycloheptyl-[4-(3,4-dichloro-benzoylamino)-benzyl]-dimethyl-ammonium iodide
  参考文献：
  名称：

  Potent and selective CC-chemokine receptor-2 (CCR2) antagonists as a potential treatment for asthma

  摘要：

  A number of compounds bearing a quaternary ammonium moiety were found to be antagonists with nanomolar binding affinity for the chemokine receptor-2. The structure-activity relationships in the series are described herein along with some detailed characterization of the interesting compounds. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.01.115
• 作为产物：
  描述：

  N-methyl-N-[(4-nitrophenyl)methyl]cycloheptanamine 在 tin(ll) chloride 作用下， 以 四氢呋喃 为溶剂， 生成 N-[(4-aminophenyl)methyl]-N-methylcycloheptanamine
  参考文献：
  名称：

  Potent and selective CC-chemokine receptor-2 (CCR2) antagonists as a potential treatment for asthma

  摘要：

  A number of compounds bearing a quaternary ammonium moiety were found to be antagonists with nanomolar binding affinity for the chemokine receptor-2. The structure-activity relationships in the series are described herein along with some detailed characterization of the interesting compounds. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.01.115

文献信息

• Potent and selective CC-chemokine receptor-2 (CCR2) antagonists as a potential treatment for asthma
  作者：Bharat Lagu、Chrissy Gerchak、Meng Pan、Cuifen Hou、Monica Singer、Ravi Malaviya、Michele Matheis、Gil Olini、Druie Cavender、Michael Wachter

  DOI：10.1016/j.bmcl.2007.01.115

  日期：2007.8

  A number of compounds bearing a quaternary ammonium moiety were found to be antagonists with nanomolar binding affinity for the chemokine receptor-2. The structure-activity relationships in the series are described herein along with some detailed characterization of the interesting compounds. (c) 2007 Published by Elsevier Ltd.