N'-(4,5-dimethylbenzo[d]thiazol-2-yl)-4-oxo-4H-chromene-2-carbohydrazide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N'-(4,5-dimethylbenzo[d]thiazol-2-yl)-4-oxo-4H-chromene-2-carbohydrazide
• 英文别名: N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide
• 化学式: C₁₉H₁₅N₃O₃S
• 分子量: 365.412
• InChiKey: MLRUOQANEUZACN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-氧代-4H-1-苯并吡喃-2-甲酰氯 、 4,5-二甲基-2(3H)-苯并噻唑酮腙 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 N'-(4,5-dimethylbenzo[d]thiazol-2-yl)-4-oxo-4H-chromene-2-carbohydrazide
  参考文献：
  名称：

  NEUROPROTECTIVE HYDRAZIDES

  摘要：

  本文公开了一种通过激活和增加蛋白质SUMO化的化合物的方法和组合物。本文公开了一种在受损细胞中施用时具有神经保护和细胞保护作用的化合物的方法和组合物。还公开了使用这些化合物治疗神经或神经系统疾病的方法，包括阿尔茨海默病、帕金森病、亨廷顿病、额颞型痴呆、慢性创伤性脑损伤、创伤性脑损伤或中风。

  公开号：

  US20200190077A1

文献信息

• NEUROPROTECTIVE HYDRAZIDES
  申请人：Dahl Russell

  公开号：US20200190077A1

  公开（公告）日：2020-06-18

  Disclosed herein are methods and compositions comprising compounds capable of activating and increasing protein SUMOylation. Disclosed herein are methods and compositions comprising compounds capable of showing neuroprotective and cytoprotective effects when administered to injured cells. Also disclosed are methods comprising these compounds for treating neuronal or neurological disorders, including Alzheimer's disease, Parkinson's disease, Huntington's disease, fronto-temporal dementia, chronic traumatic encepholopathy, traumatic brain injury, or stroke.

  本文公开了一种通过激活和增加蛋白质SUMO化的化合物的方法和组合物。本文公开了一种在受损细胞中施用时具有神经保护和细胞保护作用的化合物的方法和组合物。还公开了使用这些化合物治疗神经或神经系统疾病的方法，包括阿尔茨海默病、帕金森病、亨廷顿病、额颞型痴呆、慢性创伤性脑损伤、创伤性脑损伤或中风。
• Small molecule SUMOylation activators are novel neuroprotective agents
  作者：Katherine Krajnak、Russell Dahl

  DOI：10.1016/j.bmcl.2017.12.028

  日期：2018.2

  Neuronal loss characterizes many of the most intractable nervous system diseases that deprive our ageing population of their quality of life. Neuroprotective pharmacological modalities are urgently needed to address this burgeoning population. Small ubiquitin-like modifier (SUMO) conjugation has been established as an endogenous neuroprotective response, and we have discovered several classes of small molecules that enhance SUMO conjugation. Herein we describe the hit to lead campaign that enabled the discovery of 3 diverse classes of drug-like SUMOylation activators. Optimized compounds were ultimately validated in cell-based models of neuronal loss and provide a foundation for establishing systemically active SUMO activators to treat degenerative diseases such as Parkinson's disease, Alzheimer's disease, and stroke. (C) 2017 Elsevier Ltd. All rights reserved.