2-[4-Oxo-5-[2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[4-Oxo-5-[2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
• 化学式: C₂₂H₁₆F₃N₃O₆S₃
• mdl: MFCD02989421
• 分子量: 571.6
• InChiKey: WAQMHVNONNSMQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  190
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• SCREENING OF ANTI-VIRAL DRUGS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THIAZOLIDINONE DERIVATIVES
  申请人：Rimonyx Pharmaceuticals Ltd.

  公开号：EP1738170A2

  公开（公告）日：2007-01-03
• 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.
• [EN] SCREENING OF ANTI-VIRAL DRUGS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THIAZOLIDINONE DERIVATIVES<br/>[FR] CRIBLAGE DE MEDICAMENTS ANTIVIRAUX ET DE COMPOSITIONS PHARMACEUTIQUES CONTENANT DES DERIVES DE THIAZOLIDINONE
  申请人：RIMONYX PHARMACEUTICALS LTD

  公开号：WO2005089067A2

  公开（公告）日：2005-09-29

  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.