1-(4-Phenethylpiperazino)-1-ethanone | 415923-82-9

• 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: 1-(4-Phenethylpiperazino)-1-ethanone
• 英文别名: 1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
• CAS: 415923-82-9
• 化学式: C₁₄H₂₀N₂O
• mdl: MFCD01452841
• 分子量: 232.326
• InChiKey: DQXQUKDSAZJXCW-UHFFFAOYSA-N

物化性质

• 沸点：
  376.5±35.0 °C(Predicted)
• 密度：
  1.065±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-Phenethylpiperazino)-1-ethanone 在 盐酸 、 N,N'-羰基二咪唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 (4-Phenethyl-piperazin-1-yl)-(3-p-tolyl-adamantan-1-yl)-methanone
  参考文献：
  名称：

  Discovery and biological evaluation of adamantyl amide 11β-HSD1 inhibitors

  摘要：

  A series of adamantyl amide 11 beta-HSD1 inhibitors has been discovered and chemically modified. Selected compounds are selective for 11 beta-HSD1 over 11 beta-HSD2 and possess excellent cellular potency in human and murine 11 beta-HSD1 assays. Good pharmacodynamic characteristics are observed in ex vivo assays. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.057
• 作为产物：
  描述：

  1-乙酰哌嗪 、 邻氯乙苯 在 potassium iodide 作用下， 以 乙醇 为溶剂， 生成 1-(4-Phenethylpiperazino)-1-ethanone
  参考文献：
  名称：

  Discovery and biological evaluation of adamantyl amide 11β-HSD1 inhibitors

  摘要：

  A series of adamantyl amide 11 beta-HSD1 inhibitors has been discovered and chemically modified. Selected compounds are selective for 11 beta-HSD1 over 11 beta-HSD2 and possess excellent cellular potency in human and murine 11 beta-HSD1 assays. Good pharmacodynamic characteristics are observed in ex vivo assays. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.057

文献信息

• Discovery and biological evaluation of adamantyl amide 11β-HSD1 inhibitors
  作者：Scott P. Webster、Peter Ward、Margaret Binnie、Eilidh Craigie、Kirsty M.M. McConnell、Karen Sooy、Andy Vinter、Jonathan R. Seckl、Brian R. Walker

  DOI：10.1016/j.bmcl.2007.02.057

  日期：2007.5

  A series of adamantyl amide 11 beta-HSD1 inhibitors has been discovered and chemically modified. Selected compounds are selective for 11 beta-HSD1 over 11 beta-HSD2 and possess excellent cellular potency in human and murine 11 beta-HSD1 assays. Good pharmacodynamic characteristics are observed in ex vivo assays. (c) 2007 Elsevier Ltd. All rights reserved.