3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
• 英文别名: (5Z)-3-benzyl-5-[[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• 化学式: C₂₄H₂₃N₅O₂S₂
• 分子量: 477.6
• InChiKey: ADBITXWTNSPMOT-CYVLTUHYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  117
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• Screening of anti-viral drugs and pharmaceuticals composition containing thiazolidinone derivatives
  申请人：Gregor Paul

  公开号：US20070179137A1

  公开（公告）日：2007-08-02

  The present invention relates to a method of screening for small organic molecules that directly inhibit the interaction of glycosaminoglycans (GAGs) with GAG-binding viral proteins (GBVPs), which comprises contacting a GAG with an GBVP in the presence of at least one candidate compound; and measuring the amount of the GAG bound to the GBVP or the amount of the GBVP bound to the GAG, wherein a significant decrease in GAG-GBVP binding as compared to GAG-GBVP binding in the absence of the candidate compound, identifies said compound as inhibitor of the GAG-GBVP interaction. The invention further provides pharmaceutical compositions comprising certain 2-thioxo-thiazolidinone derivatives, particularly useful against virus infections.