2-{3'-(2''-[phenoxy]-ethylamino)-prop-1'-yl}-3(2H)-pyridazinone | 110696-44-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-{3'-(2''-[phenoxy]-ethylamino)-prop-1'-yl}-3(2H)-pyridazinone
• 英文别名: 2-[3-(2-phenoxyethylamino)-1-propyl]-3(2H)-pyridazinone；2-[3-(2-Phenoxyethylamino)propyl]pyridazin-3-one
• CAS: 110696-44-1
• 化学式: C₁₅H₁₉N₃O₂
• 分子量: 273.335
• InChiKey: ZMUVNHJUMYEDMU-UHFFFAOYSA-N

物化性质

• 熔点：
  138-140 °C
• 沸点：
  441.3±55.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  53.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-苯氧基乙胺 在 palladium on activated charcoal 氢氧化钾 、 氢气 、 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 2-{3'-(2''-[phenoxy]-ethylamino)-prop-1'-yl}-3(2H)-pyridazinone
  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

• 3(2H)-pyridazinone derivatives, a process and intermediates for preparing them and medicaments containing them and/or other 3(2H)-pyridazinone derivatives
  申请人：RICHTER GEDEON VEGYESZETI GYAR R.T.

  公开号：EP0220735B1

  公开（公告）日：1993-05-19
• 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：——
• Synthesis, antihypertensive and α-adrenoceptor activity of novel 2-aminoalkyl-3(2H)-pyridazinones
  作者：P Mátyus、J Kosáry、E Kasztreiner、N Makk、E Diesler、K Czakó、G Rabloczky、L Jaszlits、E Horváth、Z Tömösközi、G Cseh、E Horváth、P Arányi

  DOI：10.1016/0223-5234(92)90098-l

  日期：1992.3

  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.