1-(5-chloro-2,4-dihydroxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone hydrazone | 1141896-15-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1-(5-chloro-2,4-dihydroxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone hydrazone
• 英文别名: 4-Chloro-6-[2-(3,4-dimethoxyphenyl)ethanehydrazonoyl]benzene-1,3-diol
• CAS: 1141896-15-2
• 化学式: C₁₆H₁₇ClN₂O₄
• 分子量: 336.775
• InChiKey: QWDDPXSCTRRGQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  97.3
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(5-chloro-2,4-dihydroxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone hydrazone 在 氯化亚砜 、 碳酸氢钠 作用下， 以 氯仿 为溶剂， 反应 2.0h， 生成 4-(5-chloro-2,4-dihydroxyphenyl)-5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazole
  参考文献：
  名称：

  5-Aryl-4-(5-substituted-2,4-dihydroxyphenyl)-1,2,3-thiadiazoles as inhibitors of Hsp90 chaperone

  摘要：

  A series of 5-aryl-4-(5-substituted-2,4-dihydroxyphenyl)-1,2,3-thiadiazoles were synthesized and their binding to several constructs of human Hsp90 chaperone measured by isothermal titration calorimetry (ITC). The most potent compound bound Hsp90 with the dissociation constant of about 5 nM. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.003
• 作为产物：
  描述：

  1-(5-Chloro-2,4-dihydroxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 1-(5-chloro-2,4-dihydroxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone hydrazone
  参考文献：
  名称：

  5-Aryl-4-(5-substituted-2,4-dihydroxyphenyl)-1,2,3-thiadiazoles as inhibitors of Hsp90 chaperone

  摘要：

  A series of 5-aryl-4-(5-substituted-2,4-dihydroxyphenyl)-1,2,3-thiadiazoles were synthesized and their binding to several constructs of human Hsp90 chaperone measured by isothermal titration calorimetry (ITC). The most potent compound bound Hsp90 with the dissociation constant of about 5 nM. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.003