2,2'-(1,4-butanediyl)bis[5-(benzylthio)-1,3,4-oxadiazole] | 333409-40-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,2'-(1,4-butanediyl)bis[5-(benzylthio)-1,3,4-oxadiazole]
• 英文别名: 2-Benzylsulfanyl-5-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]-1,3,4-oxadiazole
• CAS: 333409-40-8
• 化学式: C₂₂H₂₂N₄O₂S₂
• 分子量: 438.574
• InChiKey: JLEVJNIKJXIHQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  128
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-(氯乙酰基)-2-(三氟乙酰基)肼 、 己二酸 、 草酰氯 、 溴甲苯 在 二硫化碳 、 氢氧化钾 、 肼 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 以7.5%的产率得到2,2'-(1,4-butanediyl)bis[5-(benzylthio)-1,3,4-oxadiazole]
  参考文献：
  名称：

  Heterocyclic inhibitors of glycine transporter 2

  摘要：

  用于抑制甘氨酸转运蛋白2和抑制甘氨酸转运蛋白介导的神经活动的化合物、组合物和方法。这些化合物特别适用于治疗神经和肌肉疾病，包括精神病、疼痛、癫痫、神经退行性疾病、中风、头部创伤、多发性硬化等，以及肌肉疾病，包括与肌肉过度收缩相关的疾病或症状，如痉挛和肌阵挛。此外，这些化合物可用于发现在这些化合物具有活性的检测中具有改进活性的其他药物。

  公开号：

  US20030073726A1

文献信息

• HETEROCYCLIC INHIBITORS OF GLYCINE TRANSPORTER 2
  申请人：TELIK, INC.

  公开号：EP1357913A1

  公开（公告）日：2003-11-05
• US6894054B2
  申请人：——

  公开号：US6894054B2

  公开（公告）日：2005-05-17
• [EN] HETEROCYCLIC INHIBITORS OF GLYCINE TRANSPORTER 2<br/>[FR] INHIBITEURS HETEROCYCLIQUES DU TRANSPORTEUR DE GLYCINE 2
  申请人：TELIK INC

  公开号：WO2002064135A1

  公开（公告）日：2002-08-22

  The invention provides compounds, compositions and methods for inhibiting the glycine transporter (2) and for affecting glycine transporter mediated neuronal activity. Useful compounds comprise compounds of Formula I : wherein n is (0, 1, 2 or 3) and R is independently halogen, hydroxy, lower alkyl optionally substituted with halogen or lower alkoxy optionally substituted with halogen; X is O, S or N-R' (wherein R's is lower alkyl, aryl, heteroaryl, aryl-lower alkylene or heteroaryl-lower alkylene); Q may be absent or present, and when present, it is represented by the formula : in which n, R and X are as defined above; when Q is present, W is a lower alkylene and when Q is absent, W is optionally substituted lower alkyl, optionally substituted aryl, optionally substituted heteroaryl (optionally substituted aryl)-X-CH2-or (optionally substituted heteroaryl)-X-CH2-in which X is as defined above; or a pharmaceutically acceptable salt thereof. These compounds are particularly useful for treating diseases of the nerve and muscle, including psychoses, pain, epilepsy, neurodegenerative diseases, stroke, head trauma, multiple sclerosis and the like, and of muscle disorders, including diseases or conditions associated with increased muscle contraction, such as spasticity and myoclonus. In addition, the compounds may be used to discover other agents with improved activity in assays in which the compounds of the invention are active.