4-(5-(methylsulfonyl)pyridin-2-yl)butanoic acid | 1100766-63-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(5-(methylsulfonyl)pyridin-2-yl)butanoic acid
• 英文别名: 4-(5-Methylsulfonylpyridin-2-yl)butanoic acid；4-(5-methylsulfonylpyridin-2-yl)butanoic acid
• CAS: 1100766-63-9
• 化学式: C₁₀H₁₃NO₄S
• 分子量: 243.284
• InChiKey: MERBMFDETREPJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  92.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5,8-dichloro-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride 、 4-(5-(methylsulfonyl)pyridin-2-yl)butanoic acid 在 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 caesium carbonate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 1-(5,8-dichloro-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-(5-(methylsulfonyl)pyridin-2-yl)butan-1-one
  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：

  ethyl 4-(5-(methylsulfonyl)pyridin-2-yl)butanoate 在 水 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 4-(5-(methylsulfonyl)pyridin-2-yl)butanoic acid
  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

• 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.