5-(2-hydroxyethylimino)-2,3-diphenyl-2,5-dihydro-1,2,4-thiadiazole hydrobromide

• 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: 5-(2-hydroxyethylimino)-2,3-diphenyl-2,5-dihydro-1,2,4-thiadiazole hydrobromide
• 化学式: BrH*C₁₆H₁₅N₃OS
• 分子量: 378.293
• InChiKey: VLVQVWAXLWYNNK-CMBBICFISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.07
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  50.41
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  N-苯基亚胺苄基氯 在 溴 作用下， 以 二氯甲烷 、 乙酸乙酯 、 丙酮 为溶剂， 反应 4.0h， 生成 5-(2-hydroxyethylimino)-2,3-diphenyl-2,5-dihydro-1,2,4-thiadiazole hydrobromide
  参考文献：
  名称：

  5-Imino-1,2,4-Thiadiazoles: First Small Molecules As Substrate Competitive Inhibitors of Glycogen Synthase Kinase 3

  摘要：

  Cumulative evidence strongly supports that glycogen synthase kinase-3 (GSK-3) is a pathogenic molecule when it is up-dysregulated, emerging as an important therapeutic target in severe unmet human diseases. GSK-3 specific inhibitors might be promising effective drugs for the treatment of devastating pathologies such as neurodegenerative diseases, stroke, and mood disorders. As GSK-3 has the ability to phosphorylate primed substrates, small molecules able to bind to this site should be perfect drug candidates, able to partially block the activity of the enzyme over some specific substrates. Here, we report substituted 5-imino-1,2,4-thiadiazoles as the first small molecules able to inhibit GSK-3 in a substrate competitive manner. These compounds are cell permeable, able to decrease inflammatory activation and to selectively differentiate neural stem cells. Overall, 5-imino-1,2,4-thiadiazoles are presented here as new molecules able to decrease neuronal cell death and to increase endogenous neurogenesis blocking the GSK-3 substrate site

  DOI：

  10.1021/jm201463v

文献信息

• SUBSTITUTED 5-IMINO-1,2,4-THIADIAZOLES THAT CAN BE USED TO TREAT NEURODEGENERATIVE DISEASES
  申请人：Consejo Superior De Investigaciones Científicas (CSIC)

  公开号：EP2484670B1

  公开（公告）日：2016-07-20
• USE OF PHOSPHODIESTERASE INHIBITOR TO ENHANCE POST-SURGICAL ERECTION IN MEN UNDERGOING RADICAL PROSTATECTOMY
  申请人：University of Medicine and Dentistry of New Jersey

  公开号：US20130225597A1

  公开（公告）日：2013-08-29

  The present invention is a method for treating post-radical prostatectomy erection dysfunction in a patient using a PDE-4, PDE-5, PDE-6 and/or PDE-7 inhibitor, wherein said PDE inhibitor is delivered at the incision site via an adhesion barrier.
• US9604947B2
  申请人：——

  公开号：US9604947B2

  公开（公告）日：2017-03-28