N'-hydroxy-5-methyl-1,3-benzoxazole-2-carboximidamide | 1172606-68-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: N'-hydroxy-5-methyl-1,3-benzoxazole-2-carboximidamide
• CAS: 1172606-68-6
• 化学式: C₉H₉N₃O₂
• 分子量: 191.189
• InChiKey: ZLFLCQPQUGXBIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  84.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-甲基-1,3-苯并恶唑-2-甲腈 在 盐酸羟胺 、 碳酸氢钠 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 生成 N'-hydroxy-5-methyl-1,3-benzoxazole-2-carboximidamide
  参考文献：
  名称：

  Chloro-oxime derivatives as novel small molecule chaperone amplifiers

  摘要：

  Chloro-oxime derivatives were investigated as novel small molecule chaperone amplifiers. Lead optimization led to the discovery of compounds that displayed potent HSF1 activation activity, significant cytoprotection in MG-132 stress, ER stress and PolyQ stress cell models (EC50 < 10 mu M). (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.03.011

文献信息

• Chloro-oxime derivatives as novel small molecule chaperone amplifiers
  作者：Yuefen Zhou、Khang Vu、Yongsheng Chen、John Pham、Thomas Brady、Gang Liu、Jinhua Chen、Joonwoo Nam、P.S. Murali Mohan Reddy、Qingyan Au、Il Sang Yoon、Marie-Helene Tremblay、Gary Yip、Charmian Cher、Bin Zhang、Jack R. Barber、Shi Chung Ng

  DOI：10.1016/j.bmcl.2009.03.011

  日期：2009.6

  Chloro-oxime derivatives were investigated as novel small molecule chaperone amplifiers. Lead optimization led to the discovery of compounds that displayed potent HSF1 activation activity, significant cytoprotection in MG-132 stress, ER stress and PolyQ stress cell models (EC50 < 10 mu M). (C) 2009 Published by Elsevier Ltd.