1-[(4-chloro-2-fluorophenyl)methyl]-N-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine | 1159913-40-2

• 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: 1-[(4-chloro-2-fluorophenyl)methyl]-N-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
• CAS: 1159913-40-2
• 化学式: C₂₃H₃₄ClFN₂
• 分子量: 392.988
• InChiKey: SOJREUGGTXHBCU-OAOOKAIFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine 在 甲酸 作用下， 以 水 为溶剂， 生成 1-[(4-chloro-2-fluorophenyl)methyl]-N-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
  参考文献：
  名称：

  Exploring a pocket for polycycloaliphatic groups in the CXCR3 receptor with the aid of a modular synthetic strategy

  摘要：

  A CXCR3 pocket capable of accommodating polycycloaliphatics was explored using a modular synthetic strategy. The systematic studies reveal that the tricyclic 2-adamantane and bicyclic (iso) bornyl group are efficiently recognized by CXCR3. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.093

文献信息

• Exploring a pocket for polycycloaliphatic groups in the CXCR3 receptor with the aid of a modular synthetic strategy
  作者：Maikel Wijtmans、Dennis Verzijl、Cindy M.E. van Dam、Leontien Bosch、Martine J. Smit、Rob Leurs、Iwan J.P. de Esch

  DOI：10.1016/j.bmcl.2009.02.093

  日期：2009.4

  A CXCR3 pocket capable of accommodating polycycloaliphatics was explored using a modular synthetic strategy. The systematic studies reveal that the tricyclic 2-adamantane and bicyclic (iso) bornyl group are efficiently recognized by CXCR3. (c) 2009 Elsevier Ltd. All rights reserved.