4-(4-Bromo-phenyl)-2-methylsulfanyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carbonitrile

• 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-Bromo-phenyl)-2-methylsulfanyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carbonitrile
• 英文别名: 4-(4-Bromophenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile；4-(4-bromophenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
• 化学式: C₁₃H₁₁BrN₂OS
• 分子量: 323.213
• InChiKey: CXZYXORXRBRQSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  78.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-Bromo-phenyl)-2-methylsulfanyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carbonitrile 、 碘甲烷 在 氢氧化钾 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 以68%的产率得到4-(4-Bromo-phenyl)-1-methyl-2-methylsulfanyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carbonitrile
  参考文献：
  名称：

  Synthesis, properties, and structures of ammonium 4-aryl-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolates

  摘要：

  The reaction of arylcyanomethylenethioacetamides with Meldrum acid gave Michael adducts as ammonium salts. When heated in alcohol, these salts undergo cyclization to ammonium 4-aryl-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolates. The structure of N-methylmorpholinium 4-(2'-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolate was established by X-ray structural analysis.

  DOI：

  10.1007/bf02496132
• 作为产物：
  描述：

  碘甲烷 、 alkaline earth salt of/the/ methylsulfuric acid 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 以83%的产率得到4-(4-Bromo-phenyl)-2-methylsulfanyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carbonitrile
  参考文献：
  名称：

  Synthesis, properties, and structures of ammonium 4-aryl-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolates

  摘要：

  The reaction of arylcyanomethylenethioacetamides with Meldrum acid gave Michael adducts as ammonium salts. When heated in alcohol, these salts undergo cyclization to ammonium 4-aryl-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolates. The structure of N-methylmorpholinium 4-(2'-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolate was established by X-ray structural analysis.

  DOI：

  10.1007/bf02496132

文献信息

• Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity
  申请人：Lindquist Susan L.

  公开号：US20080261953A1

  公开（公告）日：2008-10-23

  Compounds and compositions are provided for treatment or amelioration of one or more symptoms of α-synuclein toxicity, α-synuclein mediated diseases or diseases in which α-synuclein fibrils are a symptom or cause of the disease. In one embodiment, the compounds for use in the compositions and methods are heteroaryl acylguanidines, heteroarylhydrazones, dihy-dropyridones, heteroaryl and aryl styryl ketones, and heteroarylpyrazoles.

  提供了化合物和组合物，用于治疗或缓解α-突触核蛋白毒性、α-突触核蛋白介导的疾病或α-突触核蛋白纤维是疾病症状或病因的疾病中的一个或多个症状。在一种实施例中，用于组合物和方法的化合物是杂环基酰基胍、杂环基腙、二氢吡啶酮、杂环基和芳基苯乙酮以及杂环基吡唑。
• Compounds, compositions and methods of inhibiting a-synuclein toxicity
  申请人：The Whitehead Institute for Biomedical Research

  公开号：EP2433634A2

  公开（公告）日：2012-03-28

  Compounds and compositions are provided for treatment or amelioration of one or more symptoms of a-synuclein toxicity, a-synuclein mediated diseases or diseases in which a-synuclein fibrils are a symptom or cause of the disease. In one embodiment, the compounds for use in the compositions and methods are heteroaryl acylguanidines, heteroarylhydrazones, dihydropyridones, heteroaryl and aryl styryl ketones, and heteroarylpyrazoles.

  提供的化合物和组合物用于治疗或改善a-突触核蛋白毒性、a-突触核蛋白介导的疾病或a-突触核蛋白纤维是症状或病因的疾病的一种或多种症状。在一个实施方案中，用于组合物和方法的化合物是杂芳基酰基胍、杂芳基肼、二氢吡啶酮、杂芳基和芳基苯乙烯基酮以及杂芳基吡唑。
• COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING
  申请人：Bulawa Christine

  公开号：US20100004277A1

  公开（公告）日：2010-01-07

  Disclosed are compositions and methods for modulating protein trafficking and treating or preventing disorders characterized by impaired protein trafficking. Also disclosed are methods for identification of compounds that rescue protein trafficking defects and methods of enhancing protein production.
• TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF
  申请人：Ringe Dagmar

  公开号：US20130289022A1

  公开（公告）日：2013-10-31

  Disclosed herein are methods and related compositions for identifying compounds that stabilize natively folded tetrameric α-synuclein. These methods and compositions are useful for the treatment and diagnosis of α-synuclein-associated diseases and disorders.
• US8440705B2
  申请人：——

  公开号：US8440705B2

  公开（公告）日：2013-05-14