Ethyl 4-[6-oxo-1-[2-(2-phenoxyethylamino)ethyl]pyridazin-3-yl]piperazine-1-carboxylate | 110696-58-7

• 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: Ethyl 4-[6-oxo-1-[2-(2-phenoxyethylamino)ethyl]pyridazin-3-yl]piperazine-1-carboxylate
• CAS: 110696-58-7
• 化学式: C₂₁H₂₉N₅O₄
• 分子量: 415.492
• InChiKey: JJZYNPSQPPPHEN-UHFFFAOYSA-N

物化性质

• 熔点：
  147-149 °C
• 沸点：
  577.9±60.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  86.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  ethyl 4-[1-[2-[benzyl(2-phenoxyethyl)amino]ethyl]-6-oxopyridazin-3-yl]piperazine-1-carboxylate 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 乙醇 为溶剂， 生成 Ethyl 4-[6-oxo-1-[2-(2-phenoxyethylamino)ethyl]pyridazin-3-yl]piperazine-1-carboxylate
  参考文献：
  名称：

  Synthesis, antihypertensive and α-adrenoceptor activity of novel 2-aminoalkyl-3(2H)-pyridazinones

  摘要：

  A number of 2-phenoxyalkylaminoalkyl- and 2-[1,4]benzodioxanylmethylaminoalkyl-3(2H)-pyridazinones were synthesized and tested for hypotensive and antihypertensive activity as well as for alpha-1- and alpha-2-adrenoceptor binding affinities. Some derivatives, eg 5.5, 5.9, 5.12, 6.4 and 6.10, showed strong hypotensive/antihypertensive effect and high affinity for alpha-2- and alpha-1-adrenoceptors. Compound 5.5 was selected for clinical study. In its mode of action a potassium channel opening activity may also be involved.

  DOI：

  10.1016/0223-5234(92)90098-l

文献信息

• KRASZICINER, ENDRE;MAKK, NANDOR;CZAKO, KLARA;KOSARY, JUDIT;RABLOCZKY, GYO+
  作者：KRASZICINER, ENDRE、MAKK, NANDOR、CZAKO, KLARA、KOSARY, JUDIT、RABLOCZKY, GYO+

  DOI：——

  日期：——