5-[(4-嘧啶-2-基哌嗪-1-基)甲基]-4,5-二氢-1,3-恶唑-2-胺 | 120182-20-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 5-[(4-嘧啶-2-基哌嗪-1-基)甲基]-4,5-二氢-1,3-恶唑-2-胺
• 英文名称: 5-<1-(2-pyrimidyl)-4-piperazino>methyl-2-amino-2-oxazoline
• 英文别名: 5-[(1-pyrimidyl-4-piperazinyl)methyl]-2-amino-2-oxazoline；4,5-Dihydro-5-((4-(2-pyrimidinyl)-1-piperazinyl)methyl)-2-oxazolamine；5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
• CAS: 120182-20-9
• 化学式: C₁₂H₁₈N₆O
• 分子量: 262.315
• InChiKey: CFFBLPKCMVYPLU-UHFFFAOYSA-N

物化性质

• 熔点：
  182 °C
• 沸点：
  458.3±55.0 °C(Predicted)
• 密度：
  1.46±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  79.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-[(4-嘧啶-2-基哌嗪-1-基)甲基]-4,5-二氢-1,3-恶唑-2-胺 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 8.0h， 以28%的产率得到[2-Hydroxy-3-(4-pyrimidin-2-yl-piperazin-1-yl)-propyl]-urea
  参考文献：
  名称：

  Synthesis and psychotrope evaluation of new 3-ureidopropan-2-ols using the skin conductance reaction (SCR)-habituation test

  摘要：

  The syntheses of 1-substituted 3-ureidopropan-2-ols 2 and 3-acetyl-5-(1-phenyl-4-piperazinyl)methy 5 from the corresponding 2-amino-2 oxazolines 1 are described. Some of these compounds have been investigated for psychotropic activity in mice using the skin conductance reaction (SCR)-habituation test. All the compounds produced a delay in habituation. The standard delaying dose (SDD 150) that delays SCR extinction until 150 100ths of an hour (+50% control time) was compared with that of the reference drug fenozolone for all the compounds.

  DOI：

  10.1016/0223-5234(94)90134-1
• 作为产物：
  描述：

  3-<4-(2-Pyrimidinyl)piperazinyl>-2-hydroxypropyl chloride 在 sodium hydroxide 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 39.0h， 生成 5-[(4-嘧啶-2-基哌嗪-1-基)甲基]-4,5-二氢-1,3-恶唑-2-胺
  参考文献：
  名称：

  Synthesis and antidepressant activity of 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines

  摘要：

  The synthesis of 20 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines is described. Antidepressant activity was observed in mice using classical screening tests. Structure-activity relationships were studied and correlated with the nature of the aromatic substituent. Preliminary lipophilic and electronic properties of one lead compound (COR 3224) have been described.

  DOI：

  10.1016/0223-5234(92)90177-3

文献信息

• JARRY, CHRISTIAN;BOSC, HAN-JACQUES;PANCONI, EMMANUEL;VANGIEN, BERNARD
  作者：JARRY, CHRISTIAN、BOSC, HAN-JACQUES、PANCONI, EMMANUEL、VANGIEN, BERNARD

  DOI：——

  日期：——
• Synthesis and antidepressant activity of 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines
  作者：JJ Bosc、C Jarry、A Carpy、E Panconi、P Descas

  DOI：10.1016/0223-5234(92)90177-3

  日期：1992.8

  The synthesis of 20 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines is described. Antidepressant activity was observed in mice using classical screening tests. Structure-activity relationships were studied and correlated with the nature of the aromatic substituent. Preliminary lipophilic and electronic properties of one lead compound (COR 3224) have been described.
• Synthesis and psychotrope evaluation of new 3-ureidopropan-2-ols using the skin conductance reaction (SCR)-habituation test
  作者：I Forfar、C Jarry、MA Quermonne、M Boulouard

  DOI：10.1016/0223-5234(94)90134-1

  日期：1994.1

  The syntheses of 1-substituted 3-ureidopropan-2-ols 2 and 3-acetyl-5-(1-phenyl-4-piperazinyl)methy 5 from the corresponding 2-amino-2 oxazolines 1 are described. Some of these compounds have been investigated for psychotropic activity in mice using the skin conductance reaction (SCR)-habituation test. All the compounds produced a delay in habituation. The standard delaying dose (SDD 150) that delays SCR extinction until 150 100ths of an hour (+50% control time) was compared with that of the reference drug fenozolone for all the compounds.