N-(3-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-methylsulfonylquinolin-4-amine | 1145724-78-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-(3-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-methylsulfonylquinolin-4-amine
• CAS: 1145724-78-2
• 化学式: C₂₀H₁₈N₄O₄S
• 分子量: 410.453
• InChiKey: HLCKGKHJAPEHPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N-羟基乙脒 、 C₂₀H₂₀N₂O₅S 在 sodium ethanolate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-(3-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-methylsulfonylquinolin-4-amine
  参考文献：
  名称：

  Quinolines as a novel structural class of potent and selective PDE4 inhibitors: Optimisation for oral administration

  摘要：

  Crystallography-driven optimisation of a lead derived from similarity searching of the GSK compound collection resulted in the discovery of a series of quinoline derivatives that were highly potent and selective inhibitors of PDE4 with a good pharmacokinetic profile in the rat. Quinolines 43 and 48 have potential as oral medicines for the treatment of COPD.

  DOI：

  10.1016/j.bmcl.2009.01.045

文献信息

• Quinolines as a novel structural class of potent and selective PDE4 inhibitors: Optimisation for oral administration
  作者：Christopher J. Lunniss、Anthony W.J. Cooper、Colin D. Eldred、Michael Kranz、Mika Lindvall、Fiona S. Lucas、Margarete Neu、Alex G.S. Preston、Lisa E. Ranshaw、Alison J. Redgrave、J. Ed Robinson、Tracy J. Shipley、Yemisi E. Solanke、Don O. Somers、Joanne O. Wiseman

  DOI：10.1016/j.bmcl.2009.01.045

  日期：2009.3

  Crystallography-driven optimisation of a lead derived from similarity searching of the GSK compound collection resulted in the discovery of a series of quinoline derivatives that were highly potent and selective inhibitors of PDE4 with a good pharmacokinetic profile in the rat. Quinolines 43 and 48 have potential as oral medicines for the treatment of COPD.