6-(5-{[4-methoxy-3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-oxadiazol-2-yl)quinoline | 1005202-09-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-(5-{[4-methoxy-3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-oxadiazol-2-yl)quinoline
• 英文别名: 6-[5-[[4-methoxy-3-(trifluoromethyl)benzyl]thio]-1,3,4-oxadiazol-2-yl]quinoline；2-[[4-methoxy-3-(trifluoromethyl)phenyl]methylsulfanyl]-5-quinolin-6-yl-1,3,4-oxadiazole
• CAS: 1005202-09-4
• 化学式: C₂₀H₁₄F₃N₃O₂S
• 分子量: 417.411
• InChiKey: NLWJVZZIESQUMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  86.3
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-甲氧基-3-三氟甲基溴苄 、 5-(喹啉-6-基)-1,3,4-恶二唑-2-硫醇 以the title compound (yield 74%) was obtained as colorless crystals的产率得到6-(5-{[4-methoxy-3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-oxadiazol-2-yl)quinoline
  参考文献：
  名称：

  GSK-3BETAINHIBITOR

  摘要：

  本发明旨在提供一种含有氧代二唑化合物或其盐或其前药的GSK-3β抑制剂，用作预防或治疗GSK-3β相关病理或疾病的药物。本发明提供了一种含有式(I)所表示的化合物的GSK-3β抑制剂，其中每个符号如规范中所定义，或其盐或其前药。

  公开号：

  US20100069381A1

文献信息

• GSK-3BETAINHIBITOR
  申请人：Itoh Fumio

  公开号：US20100069381A1

  公开（公告）日：2010-03-18

  For the purpose of providing a GSK-3β inhibitor containing an oxadiazole compound or a salt thereof or a prodrug thereof useful as an agent for the prophylaxis or treatment of a GSK-3β-related pathology or disease, the present invention provides a GSK-3β inhibitor containing a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof or a prodrug thereof.

  为了提供一种含有噁二唑化合物或其盐或其前药的GSK-3β抑制剂，用作GSK-3β相关病理或疾病的预防或治疗剂，本发明提供了一种含有由以下式（I）表示的化合物的GSK-3β抑制剂： 其中每个符号如规范中定义，或其盐或其前药。
• GSK-3β inhibitor
  申请人：Itoh Fumio

  公开号：US08492378B2

  公开（公告）日：2013-07-23

  For the purpose of providing a GSK-3β inhibitor containing an oxadiazole compound or a salt thereof or a prodrug thereof useful as an agent for the prophylaxis or treatment of a GSK-3β-related pathology or disease, the present invention provides a GSK-3β inhibitor containing a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof or a prodrug thereof.

  为了提供一种含有噁唑烷化合物或其盐或前药的GSK-3β抑制剂，该抑制剂可用作GSK-3β相关病理或疾病的预防或治疗剂，本发明提供了一种包含式（I）所表示的化合物的GSK-3β抑制剂：其中每个符号如规范中所定义，或其盐或前药。
• US8492378B2
  申请人：——

  公开号：US8492378B2

  公开（公告）日：2013-07-23
• Design, synthesis and structure–activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3β
  作者：Morihisa Saitoh、Jun Kunitomo、Eiji Kimura、Yoji Hayase、Hiromi Kobayashi、Noriko Uchiyama、Tomohiro Kawamoto、Toshimasa Tanaka、Clifford D. Mol、Douglas R. Dougan、Garret S. Textor、Gyorgy P. Snell、Fumio Itoh

  DOI：10.1016/j.bmc.2009.01.019

  日期：2009.3

  Glycogen synthase kinase-3beta (GSK-3beta) is implicated in abnormal hyperphosphorylation of tau protein and its inhibitors are expected to be a promising therapeutic agents for the treatment of Alzheimer's disease. Here we report design, synthesis and structure-activity relationships of a novel series of oxadiazole derivatives as GSK-3beta inhibitors. Among these inhibitors, compound 20x showed highly selective and potent GSK-3beta inhibitory activity in vitro and its binding mode was determined by obtaining the X-ray co-crystal structure of 20x and GSK-3beta.