2,4-二乙氧基-7,8,9,10-四氢氮杂卓并[2,1-b]喹唑啉-12(6H)-酮 | 891197-41-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 2,4-二乙氧基-7,8,9,10-四氢氮杂卓并[2,1-b]喹唑啉-12(6H)-酮
• 英文名称: 2,4-diethoxy-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-one
• 英文别名: 2,4-Diethoxy-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one；2,4-diethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
• CAS: 891197-41-4
• 化学式: C₁₇H₂₂N₂O₃
• 分子量: 302.373
• InChiKey: MCFSYEWJQOTORP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,4-dimethoxy-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-one 在 氢溴酸 、 potassium carbonate 作用下， 以 水 、 丙酮 为溶剂， 96.0~99.0 ℃ 、275.79 kPa 条件下， 反应 20.0h， 生成 2,4-二乙氧基-7,8,9,10-四氢氮杂卓并[2,1-b]喹唑啉-12(6H)-酮
  参考文献：
  名称：

  Synthesis and bronchodilator activity of new quinazolin derivative

  摘要：

  Taking lead from a naturally occurring quinazolin vasicine, a number of compounds were developed and evaluated for bronchodilator and anti-allergic activities. One of these compounds was 2,4-diethoxy-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-one, hereinafter named 95-4, exhibited marked bronchodilator activity evaluated on contracted trachea or constricted tracheo-bronchial tree. On intestinal smooth muscle too it showed relaxant effect. Trachea] relaxant effect was not found to be mediated through beta-adrenoceptors. Cumulative dose-response study with acetylcholine and histamine indicated for its non-specific direct effect on smooth muscles. 95-4 was found to be more potent than theophylline and less to that of salbutamol on dose basis. Tested by a number of experimental models, it was found devoid of anti-allergic activity. It was also found to be free from any adverse effect.95-4 due to its marked bronchial muscle relaxant effect can find use in conditions associated with spasm of bronchial muscles. (c) 2006 Published by Elsevier SAS.

  DOI：

  10.1016/j.ejmech.2005.09.010

文献信息

• Synthesis and bronchodilator activity of new quinazolin derivative
  作者：A. Zabeer、A. Bhagat、O.P. Gupta、G.D. Singh、M.S. Youssouf、K.L. Dhar、O.P. Suri、K.A. Suri、N.K. Satti、B.D. Gupta、G.N. Qazi

  DOI：10.1016/j.ejmech.2005.09.010

  日期：2006.3

  Taking lead from a naturally occurring quinazolin vasicine, a number of compounds were developed and evaluated for bronchodilator and anti-allergic activities. One of these compounds was 2,4-diethoxy-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-one, hereinafter named 95-4, exhibited marked bronchodilator activity evaluated on contracted trachea or constricted tracheo-bronchial tree. On intestinal smooth muscle too it showed relaxant effect. Trachea] relaxant effect was not found to be mediated through beta-adrenoceptors. Cumulative dose-response study with acetylcholine and histamine indicated for its non-specific direct effect on smooth muscles. 95-4 was found to be more potent than theophylline and less to that of salbutamol on dose basis. Tested by a number of experimental models, it was found devoid of anti-allergic activity. It was also found to be free from any adverse effect.95-4 due to its marked bronchial muscle relaxant effect can find use in conditions associated with spasm of bronchial muscles. (c) 2006 Published by Elsevier SAS.