| 1246997-66-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• CAS: 1246997-66-9
• 化学式: C₁₈H₂₃Br₂Cl₂NO₄
• 分子量: 548.099
• InChiKey: RFEGKCOPGLDKJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.74
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  48.0
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 0.25h， 以47%的产率得到
  参考文献：
  名称：

  Synthesis of novel tetrahydroisoquinoline bronchodilators

  摘要：

  The synthesis and bronchorelaxing effects of a series of novel tetrahydroisoquinoline amides are described. The compounds were evaluated for their ability to relax LTD4 contracted isolated human small airways ex-vivo. Several compounds demonstrated highly efficacious bronchorelaxing properties. Cinnamide 71 was selected for further studies and constitutes a promising candidate as a novel bronchorelaxing agent for the treatment of pulmonary disorders. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.057
• 作为产物：
  描述：

  在 四氯化碳 、 三苯基膦 作用下， 反应 3.0h， 以41%的产率得到
  参考文献：
  名称：

  Synthesis of novel tetrahydroisoquinoline bronchodilators

  摘要：

  The synthesis and bronchorelaxing effects of a series of novel tetrahydroisoquinoline amides are described. The compounds were evaluated for their ability to relax LTD4 contracted isolated human small airways ex-vivo. Several compounds demonstrated highly efficacious bronchorelaxing properties. Cinnamide 71 was selected for further studies and constitutes a promising candidate as a novel bronchorelaxing agent for the treatment of pulmonary disorders. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.057