| 1164101-41-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1164101-41-0
• 化学式: C₂₂H₂₃ClN₂O
• 分子量: 366.89
• InChiKey: ZJQDAQVGKILZCF-UHFFFAOYSA-N

物化性质

• 沸点：
  528.9±45.0 °C(predicted)
• 密度：
  1.212±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.48
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  24.5
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-chloro-N-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-7-yl)acetamide 、 在 sodium carbonate 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以47%的产率得到2-[4-[[6-[(3-chlorophenyl)methoxy]naphthalen-2-yl]methyl]piperazin-1-yl]-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
  参考文献：
  名称：

  Synthesis of 2-(4-substitutedmethylpiperazin-1-yl)-N-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-7-yl)acetamides and their positive inotropic evaluation

  摘要：

  In an attempt to search for more potent positive inotropic agents, a series of 2-(4-substitutedmethylpiperazin-1-yl)-N-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-7-yl)acetamides were synthesized and their positive inotropic activities were evaluated by measuring left atrium stroke volume on isolated rabbit heart preparations. Several compounds showed favorable activities compared with the standard drug, milrinone, among which 2-(4-(4-methylbenzyl)piperazin-1-yl)-N-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-7-yl) acetamide 4e showed the most potent activity with the 5.09 +/- 0.00% increased stroke volume (milrinone 1.67 +/- 0.64%) at a concentration of 1 X 10(-5) M in our in vitro study. The chronotropic effects of those compounds having significant inotropic effects were also evaluated in this work. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.08.006