2-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-benzothiazol-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-benzothiazol-3-one
• 化学式: C₁₆H₁₇N₅OS
• 分子量: 327.41
• InChiKey: CDTQQBTYKGJJPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  77.9
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• [EN] SMALL MOLECULE OXIDIZERS OF PDI AND THEIR USE<br/>[FR] OXYDANTS DE LA PDI À PETITE MOLÉCULE ET LEUR UTILISATION
  申请人：UNIV COLUMBIA

  公开号：WO2016118639A1

  公开（公告）日：2016-07-28

  The present invention provides a method for treating or ameliorating the effects of a neurodegenerative disorder in a subject in need thereof comprising administering to the subject an effective amount of a compound selected from the group consisting of combinations thereof, or an N-oxide, crystalline form, hydrate, or pharmaceutically acceptable salt thereof. The present invention also provides a method for treating or ameliorating the effects of a condition associated with increased protein disulfide isomerase (PDI) activity and a method of modulating PDI activity in a cell. The present invention also provides compounds, salts, compositions and kits useful for the provided methods.

  本发明提供了一种治疗或改善需要的受试者神经退行性疾病影响的方法，包括向受试者施用所选化合物组合中的有效量，或其N-氧化物、结晶形式、水合物或药用可接受盐。本发明还提供了一种治疗或改善与增加蛋白二硫键异构酶（PDI）活性相关的病症的方法，以及调节细胞中PDI活性的方法。本发明还提供了用于所述方法的化合物、盐、组合物和试剂盒。
• SMALL MOLECULE OXIDIZERS OF PDI AND THEIR USE
  申请人：THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

  公开号：US20180092908A1

  公开（公告）日：2018-04-05

  The present invention provides a method for treating or ameliorating the effects of a neurodegenerative disorder in a subject in need thereof. The method includes, for example, administering to the subject an effective amount of a compound selected from: combinations thereof, or an N-oxide, crystalline form, hydrate thereof, or a pharmaceutically acceptable salt thereof. The present invention also provides a method for treating or ameliorating the effects of a condition associated with increased protein disulfide isomerase (PDI) activity and a method of modulating PDI activity in a cell. The present invention also provides compounds, salts, compositions and kits useful for the provided methods.