2-[2-(1H-pyrrol-2-yl)-ethyl]-4,5-dihydro-1H-imidazole | 1049762-42-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-[2-(1H-pyrrol-2-yl)-ethyl]-4,5-dihydro-1H-imidazole
• 英文别名: 2-[2-(1H-pyrrol-2-yl)ethyl]-4,5-dihydro-1H-imidazole
• CAS: 1049762-42-6
• 化学式: C₉H₁₃N₃
• 分子量: 163.222
• InChiKey: DCFAUGOHNZGQMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  40.2
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-[(E)-2-(1H-pyrrol-2-yl)-vinyl]-4,5-dihydro-1H-imidazole 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、275.8 kPa 条件下， 以85%的产率得到2-[2-(1H-pyrrol-2-yl)-ethyl]-4,5-dihydro-1H-imidazole
  参考文献：
  名称：

  Novel Ligands Rationally Designed for Characterizing I₂−Imidazoline Binding Sites Nature and Functions

  摘要：

  The study of two series of 2-aryl-ethylen-imidazolines 3-7 and 8-12 inspired by I(2)-IBS ligands phenyzoline (1) and diphenyzoline (2), respectively, confirmed the interesting "positive" or "negative" morphine analgesia modulation displayed by their corresponding leads and demonstrated that these effects might be correlated with morphine tolerance and dependence, respectively. By comparative examination of rationally designed compounds, some analogies between binding site cavity of I(2)-IBS proteins and alpha(2C)-adrenoreceptor emerged.

  DOI：

  10.1021/jm800400k

文献信息

• Novel Ligands Rationally Designed for Characterizing I₂−Imidazoline Binding Sites Nature and Functions
  作者：Francesco Gentili、Claudia Cardinaletti、Cristian Vesprini、Francesca Ghelfi、Aniket Farande、Mario Giannella、Alessandro Piergentili、Wilma Quaglia、Laura Mattioli、Marina Perfumi、Alan Hudson、Maria Pigini

  DOI：10.1021/jm800400k

  日期：2008.8.1

  The study of two series of 2-aryl-ethylen-imidazolines 3-7 and 8-12 inspired by I(2)-IBS ligands phenyzoline (1) and diphenyzoline (2), respectively, confirmed the interesting "positive" or "negative" morphine analgesia modulation displayed by their corresponding leads and demonstrated that these effects might be correlated with morphine tolerance and dependence, respectively. By comparative examination of rationally designed compounds, some analogies between binding site cavity of I(2)-IBS proteins and alpha(2C)-adrenoreceptor emerged.