4-((4-oxo-2-thioxothiazolidin-3-yl)methyl)benzonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-((4-oxo-2-thioxothiazolidin-3-yl)methyl)benzonitrile
• 英文别名: 4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzonitrile
• 化学式: C₁₁H₈N₂OS₂
• 分子量: 248.329
• InChiKey: BUDJLCORRKRSAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  二硫化碳 、 对氰基苄胺 、 N-(2-氯乙酰基)甲酯基甲酰胺 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 0.17h， 以84%的产率得到4-((4-oxo-2-thioxothiazolidin-3-yl)methyl)benzonitrile
  参考文献：
  名称：

  A Concise Approach to N-Substituted Rhodanines through a Base-Assisted One-Pot Coupling and Cyclization Process

  摘要：

  通过碱辅助的一锅法耦合和连续环化，开发了一种高效的方法来获得官能化的罗丹啉。该转化容忍广泛的官能团，并可用于扩大制备N-取代罗丹啉，产率极高。

  DOI：

  10.3390/molecules25051138

文献信息

• NOGO RECEPTOR BINDING SMALL MOLECULES TO PROMOTE AXONAL GROWTH
  申请人：Yale University

  公开号：EP2220499A2

  公开（公告）日：2010-08-25
• Nogo Receptor Binding Small Molecules to Promote Axonal Growth
  申请人：Strittmatter Stephen M.

  公开号：US20110065715A1

  公开（公告）日：2011-03-17

  The present invention provides a method for identifying compounds which modulate the interaction of Nogo and Nogo receptor (NgR). The present invention also provides compounds that modulate the interaction of Nogo and Nogo receptor (NgR), the use of such compounds and compositions in the treatment or amelioration of conditions diseases or disorders, such as spinal cord injury, traumatic brain injury, stroke, multiple sclerosis, ALS, Huntington's disease, Alzheimer's disease, Parkinson's disease, epilepsy, Schizophrenia or schizoaffective disorders.
• [EN] NOGO RECEPTOR BINDING SMALL MOLECULES TO PROMOTE AXONAL GROWTH<br/>[FR] PETITES MOLÉCULES SE LIANT AU RÉCEPTEUR NOGO POUR PROMOUVOIR LA CROISSANCE AXONALE
  申请人：STRITTMATTER STEPHEN M

  公开号：WO2009073141A2

  公开（公告）日：2009-06-11

  The present invention provides a method for identifying compounds which modulate the interaction of Nogo and Nogo receptor (NgR). The present invention also provides compounds that modulate the interaction of Nogo and Nogo receptor (NgR), the use of such compounds and compositions in the treatment or amelioration of conditions diseases or disorders, such as spinal cord injury, traumatic brain injury, stroke, multiple sclerosis, ALS, Huntington's disease, Alzheimer's disease, Parkinson's disease, epilepsy, Schizophrenia or schizoaffective disorders.