1-(1-Adamantylcarbonyl)-4-(2-chlorophenyl)piperazine | 405077-28-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(1-Adamantylcarbonyl)-4-(2-chlorophenyl)piperazine
• 英文别名: 1-adamantyl-[4-(2-chlorophenyl)piperazin-1-yl]methanone
• CAS: 405077-28-3
• 化学式: C₂₁H₂₇ClN₂O
• 分子量: 358.911
• InChiKey: CCWBFMCYWDUFEF-UHFFFAOYSA-N

物化性质

• 沸点：
  522.3±45.0 °C(Predicted)
• 密度：
  1.253±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-(2-氯苯基)哌嗪 、 金刚烷酰氯 在 solid phase supported DIEA 作用下， 以 二氯甲烷 为溶剂， 生成 1-(1-Adamantylcarbonyl)-4-(2-chlorophenyl)piperazine
  参考文献：
  名称：

  Discovery and SAR of novel mGluR5 non-competitive antagonists not based on an MPEP chemotype

  摘要：

  This Letter describes the discovery and SAR of three novel series of mGluR5 non-competitive antagonists/negative allosteric modulators (NAMs) not based on manipulation of an MPEP/MTEP chemotype. This work demonstrates fundamentally new mGluR5 NAM chemotypes with submicromolar potencies, and the first example of a mode of pharmacology 'switch' to provide PAMs with a non-MPEP scaffold. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.110

文献信息

• Discovery and SAR of novel mGluR5 non-competitive antagonists not based on an MPEP chemotype
  作者：Alice L. Rodriguez、Richard Williams、Ya Zhou、Stacey R. Lindsley、Uyen Le、Mark D. Grier、C. David Weaver、P. Jeffrey Conn、Craig W. Lindsley

  DOI：10.1016/j.bmcl.2009.04.110

  日期：2009.6

  This Letter describes the discovery and SAR of three novel series of mGluR5 non-competitive antagonists/negative allosteric modulators (NAMs) not based on manipulation of an MPEP/MTEP chemotype. This work demonstrates fundamentally new mGluR5 NAM chemotypes with submicromolar potencies, and the first example of a mode of pharmacology 'switch' to provide PAMs with a non-MPEP scaffold. (C) 2009 Elsevier Ltd. All rights reserved.