1-(6,7-dimethoxy-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone | 1100756-69-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 1-(6,7-dimethoxy-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
• CAS: 1100756-69-1
• 化学式: C₁₅H₂₁NO₃
• 分子量: 263.337
• InChiKey: DPAXJIIORQRXCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(6,7-dimethoxy-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone 在 水 、 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 21.0h， 生成 6,7-Dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline
  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：

  1-[5,8-bis(chloromethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone 在 sodium cyanoborohydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 1-(6,7-dimethoxy-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
  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

文献信息

• NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES
  申请人：Dalence Maria

  公开号：US20100256101A1

  公开（公告）日：2010-10-07

  The invention relates to novel compounds having the general formula (I), and which compounds are useful to manufacture a medicament to treat a disorder or disease characterized by bronchoconstriction, e.g. COPD and asthma, and vasoconstriction, e.g. hypertension.

  本发明涉及具有一般式(I)的新化合物，这些化合物可用于制造治疗支气管收缩（例如COPD和哮喘）和血管收缩（例如高血压）等疾病或疾病的药物。
• US8318768B2
  申请人：——

  公开号：US8318768B2

  公开（公告）日：2012-11-27
• [EN] NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES<br/>[FR] NOUVEAUX AMIDES D'ISOQUINOLÉINE a,ß-INSATURÉS BRONCHODILATATEURS
  申请人：RESPIRATORIUS AB

  公开号：WO2009007420A1

  公开（公告）日：2009-01-15

  The invention relates to novel compounds having the general formula (I), and which compounds are useful to manufacture a medicament to treat a disorder or disease characterized by bronchoconstriction, e.g. COPD and asthma, and vasoconstriction, e.g. hypertension.
• Synthesis of novel tetrahydroisoquinoline bronchodilators
  作者：Maria F. Dalence-Guzmán、Jörgen Toftered、Viveca Thornqvist Oltner、David Wensbo、Martin H. Johansson

  DOI：10.1016/j.bmcl.2010.07.057

  日期：2010.9

  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.