8-Fluoro-4-hydroxy-6-iodoquinoline-3-carboxylic acid | 228728-29-8

• 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: 8-Fluoro-4-hydroxy-6-iodoquinoline-3-carboxylic acid
• 英文别名: 8-fluoro-6-iodo-4-oxo-1H-quinoline-3-carboxylic acid
• CAS: 228728-29-8
• 化学式: C₁₀H₅FINO₃
• 分子量: 333.058
• InChiKey: RISJYMCHNBBECZ-UHFFFAOYSA-N

物化性质

• 沸点：
  453.1±45.0 °C(Predicted)
• 密度：
  2.162±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  8-Fluoro-4-hydroxy-6-iodoquinoline-3-carboxylic acid 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 生成
  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
• 作为产物：
  描述：

  6-Iodo-8-fluoro-4-hydroxy-3-quinolinecarboxylic acid ethyl ester 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 8-Fluoro-4-hydroxy-6-iodoquinoline-3-carboxylic acid
  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

• Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4)
  申请人：Aston Nicola Mary

  公开号：US20080280911A1

  公开（公告）日：2008-11-13

  There are provided according to the invention novel compounds of formula (I)

  根据本发明提供了式(I)的新化合物。
• 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS
  申请人：Pharmacia & Upjohn Company LLC

  公开号：EP1042295B1

  公开（公告）日：2005-09-07
• CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4)
  申请人：GLAXO GROUP LIMITED

  公开号：EP1945616A1

  公开（公告）日：2008-07-23
• [EN] CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4)<br/>[FR] COMPOSES CINNOLINE UTILISES EN TANT QU'INHIBITEURS DE LA PHOSPHODIESTERASE DE TYPE IV (PDE4)
  申请人：GLAXO GROUP LTD

  公开号：WO2007045861A1

  公开（公告）日：2007-04-26

  [EN] There are provided according to the invention novel compounds of formula (I).
  [FR] La présente invention concerne des composés nouveaux de formule (I).