2-cyano-2-[3-ethyl-4-oxo-5-[1-pyridin-3-yl-meth-(Z)-ylidene]-thiazolidin-(2Z)-ylidene]-N-(2,2,2-trifluoro-ethyl)-acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-cyano-2-[3-ethyl-4-oxo-5-[1-pyridin-3-yl-meth-(Z)-ylidene]-thiazolidin-(2Z)-ylidene]-N-(2,2,2-trifluoro-ethyl)-acetamide
• 英文别名: (2Z)-2-cyano-2-[(5Z)-3-ethyl-4-oxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• 化学式: C₁₆H₁₃F₃N₄O₂S
• 分子量: 382.366
• InChiKey: FBILLHIHXAKIDW-AKYXDEIXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (2Z)-2-cyano-2-[3-ethyl-4-oxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetic acid 、 2,2,2-三氟乙基胺 在 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 2-cyano-2-[3-ethyl-4-oxo-5-[1-pyridin-3-yl-meth-(Z)-ylidene]-thiazolidin-(2Z)-ylidene]-N-(2,2,2-trifluoro-ethyl)-acetamide 、 2-cyano-2-[3-ethyl-4-oxo-5-[1-pyridin-3-yl-meth-(E)-ylidene]-thiazolidin-(2Z)-ylidene]-N-(2,2,2-trifluoro-ethyl)-acetamide
  参考文献：
  名称：

  WO2006/114333

  摘要：

  公开号：

文献信息

• Thiazolidinones without basic nitrogen, their production and use as pharmaceutical agents
  申请人：Prien Olaf

  公开号：US20070010566A1

  公开（公告）日：2007-01-11

  The invention relates to thiazolidones of general formula (I) as welt as to their production and to their use as inhibitors of the polo-like kinase (Plk) for treating various diseases, as welt as to intermediate products for the production of the compounds according to the invention.

  本发明涉及通式（I）的噻唑烷酮，以及它们的制备和用作极化样激酶（Plk）抑制剂治疗各种疾病，以及用于制备本发明化合物的中间体。
• NEW THIAZOLIDINONES WITHOUT BASIC NITROGEN, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP1877406A1

  公开（公告）日：2008-01-16
• [EN] NEW THIAZOLIDINONES WITHOUT BASIC NITROGEN, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS<br/>[FR] NOUVELLES THIAZOLIDINONES EXEMPTES D'AZOTE BASIQUE, LEUR PRODUCTION ET LEUR UTILISATION COMME AGENTS PHARMACEUTIQUES
  申请人：SCHERING AG

  公开号：WO2006114333A1

  公开（公告）日：2006-11-02

  [EN] The invention relates to thiazolidinones of general formula (I): as well as to their production and to their use as inhibitors of the polo-like kinase (PIk) for treating various diseases, as well as to intermediate products for the production of the compounds according to the invention.
  [FR] L'invention concerne des thiazolidinones de formule générale (I) ainsi que leur production et leur utilisation comme inhibiteurs de la kinase de type polo (Plk) pour le traitement de diverses maladies, et des produits intermédiaires destinés à la production des composés susmentionnés.