3-[3-(piperidin-1-yl)propyl]-4-oxo-3,4-dihydroquinazoline-1-oxide | 1577191-45-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-[3-(piperidin-1-yl)propyl]-4-oxo-3,4-dihydroquinazoline-1-oxide
• 英文别名: 1-Oxido-3-(3-piperidin-1-ylpropyl)quinazolin-1-ium-4-one；1-oxido-3-(3-piperidin-1-ylpropyl)quinazolin-1-ium-4-one
• CAS: 1577191-45-7
• 化学式: C₁₆H₂₁N₃O₂
• 分子量: 287.362
• InChiKey: LVNWGZHDVXCJAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  quinazoline-1-oxide 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 、 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 24.0h， 生成 3-[3-(piperidin-1-yl)propyl]-4-oxo-3,4-dihydroquinazoline-1-oxide
  参考文献：
  名称：

  Novel bronchodilatory quinazolines and quinoxalines: Synthesis and biological evaluation

  摘要：

  A series of heterocyclic derivatives analogous to (-)vasicinone, in which the vasicinone C-ring was replaced with alkyl chain terminated by tertiary amine was prepared. N3, C4-O, C4-S or C4-N were used as the sites of attachment. The 4-[3-(1-piperidyl)propylsulfanyl]derivatives displayed bronchodilatory effect at low micromolar concentrations on isolated rat trachea, and low toxicity both on Balb/c 3T3 mouse fibroblast cells and in mice. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.12.024

文献信息

• Novel bronchodilatory quinazolines and quinoxalines: Synthesis and biological evaluation
  作者：Marcel Špulák、Jana Pourová、Marie Vopršálová、Jiří Mikušek、Jiří Kuneš、Jan Vacek、Mukund Ghavre、Nicholas Gathergood、Milan Pour

  DOI：10.1016/j.ejmech.2013.12.024

  日期：2014.3

  A series of heterocyclic derivatives analogous to (-)vasicinone, in which the vasicinone C-ring was replaced with alkyl chain terminated by tertiary amine was prepared. N3, C4-O, C4-S or C4-N were used as the sites of attachment. The 4-[3-(1-piperidyl)propylsulfanyl]derivatives displayed bronchodilatory effect at low micromolar concentrations on isolated rat trachea, and low toxicity both on Balb/c 3T3 mouse fibroblast cells and in mice. (C) 2014 Elsevier Masson SAS. All rights reserved.