(E)-5-((2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (E)-5-((2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one
• 英文别名: (5E)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
• 化学式: C₁₈H₁₈N₂OS₂
• 分子量: 342.5
• InChiKey: KDONNLHNUFGUFL-LFIBNONCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  82.6
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Thioxothiazolidinone Compounds For Use As Pharmaceuticals
  申请人：Bjorklund Mikael

  公开号：US20080108677A1

  公开（公告）日：2008-05-08

  The present invention relates to thioxothiazolidinone compounds for use as pharmaceuticals, to pharmaceutical compositions comprising these compounds, and to the use of said small-molecule compounds for the manufacture of pharmaceutical compositions for the treatment of conditions dependent on leukocyte cell migration, such as leukaemia and inflammatory diseases. Said compounds inhibit leukaemia cell migration by stabilizing the active conformation of the α M integrin I domain.