imidazolidin-2-ylidene-(5,6,7,8-tetrahydronaphthalen-2-yl)amine hydrochloride | 1029802-21-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: imidazolidin-2-ylidene-(5,6,7,8-tetrahydronaphthalen-2-yl)amine hydrochloride
• 英文别名: N-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
• CAS: 1029802-21-8
• 化学式: C₁₃H₁₇N₃*ClH
• 分子量: 251.759
• InChiKey: SHOKYNWYQLSJLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.17
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  36.4
• 氢给体数：
  3
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-(5,6,7,8-tetrahydro-naphthalen-2-ylimino)-imidazolidine-1,3-dicarboxylic acid di-tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 27.0h， 以94%的产率得到imidazolidin-2-ylidene-(5,6,7,8-tetrahydronaphthalen-2-yl)amine hydrochloride
  参考文献：
  名称：

  Guanidine and 2-Aminoimidazoline Aromatic Derivatives as α₂-Adrenoceptor Antagonists. 2. Exploring Alkyl Linkers for New Antidepressants

  摘要：

  The preparation of a number of (bis)ouanidine and (bis)2-aminoimidazoline derivatives as potential alpha(2)-adrenoceptor antagonists for the treatment of depression is presented. Human brain tissue was used to measure their affinity toward the alpha(2)-adrenoceptors in vitro. Compounds 6b, 8b, 9b, 10b, 15b, 17b, 18b, 20b, and 21b displayed a good affinity (pK(i) > 7) and were evaluated in in vitro functional [(35)S]GTP gamma S binding assays in human prefrontal cortex to determine their agonistic or antagonistic activity. Among these compounds, 17b and 20b showed the expected behavior for an antagonist and were subject to in vivo microdialysis experiments in rats. Significantly, these experiments confirmed the antagonistic properties of 17b and 20b, and therefore both compounds can be considered as potential antidepressants.

  DOI：

  10.1021/jm800026x

文献信息

• Guanidine and 2-Aminoimidazoline Aromatic Derivatives as α₂-Adrenoceptor Antagonists. 2. Exploring Alkyl Linkers for New Antidepressants
  作者：Fernando Rodriguez、Isabel Rozas、Jorge E. Ortega、Amaia M. Erdozain、J. Javier Meana、Luis F. Callado

  DOI：10.1021/jm800026x

  日期：2008.6.1

  The preparation of a number of (bis)ouanidine and (bis)2-aminoimidazoline derivatives as potential alpha(2)-adrenoceptor antagonists for the treatment of depression is presented. Human brain tissue was used to measure their affinity toward the alpha(2)-adrenoceptors in vitro. Compounds 6b, 8b, 9b, 10b, 15b, 17b, 18b, 20b, and 21b displayed a good affinity (pK(i) > 7) and were evaluated in in vitro functional [(35)S]GTP gamma S binding assays in human prefrontal cortex to determine their agonistic or antagonistic activity. Among these compounds, 17b and 20b showed the expected behavior for an antagonist and were subject to in vivo microdialysis experiments in rats. Significantly, these experiments confirmed the antagonistic properties of 17b and 20b, and therefore both compounds can be considered as potential antidepressants.