3'-{[4-tert-butyl-2-methylphenoxy]methyl}[1,1'-biphenyl]-4-carbohydrazide | 1312761-58-2

• 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: 3'-{[4-tert-butyl-2-methylphenoxy]methyl}[1,1'-biphenyl]-4-carbohydrazide
• 英文别名: 4-[3-[(4-Tert-butyl-2-methylphenoxy)methyl]phenyl]benzohydrazide
• CAS: 1312761-58-2
• 化学式: C₂₅H₂₈N₂O₂
• 分子量: 388.51
• InChiKey: BMOBOLSJMVTMGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  吲哚-3-乙醛酰氯 、 3'-{[4-tert-butyl-2-methylphenoxy]methyl}[1,1'-biphenyl]-4-carbohydrazide 在 三乙胺 作用下， 以 甲基叔丁基醚 为溶剂， 反应 3.25h， 以7%的产率得到N'-({3'-[(4-tert-butyl-2-methylphenoxy)methyl][1,1'-biphenyl]-4-yl}carbonyl)-2-(1H-indol-3-yl)-2-oxoacetohydrazide
  参考文献：
  名称：

  Dual IGF-1R/SRC inhibitors based on a N′-aroyl-2-(1H-indol-3-yl)-2-oxoacetohydrazide structure

  摘要：

  The N'-aroyl-2-(1H-indol-3-yl)-2-oxoacetohydrazide motif was identified as a novel scaffold for the development of kinase inhibitors. Derivatives with a biphenyl element attached to the hydrazide structure proved to be submicromolar dual inhibitors of the cancer-related kinases IGF-1R and SRC. One of the most potent kinase inhibitors of the series produced a selective growth inhibition in a panel of cultivated cancer cell lines. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.03.065
• 作为产物：
  描述：

  对碘苯甲酸乙酯 在 四(三苯基膦)钯 、 一水合肼 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙醇 、 水 为溶剂， 反应 0.17h， 生成 3'-{[4-tert-butyl-2-methylphenoxy]methyl}[1,1'-biphenyl]-4-carbohydrazide
  参考文献：
  名称：

  Dual IGF-1R/SRC inhibitors based on a N′-aroyl-2-(1H-indol-3-yl)-2-oxoacetohydrazide structure

  摘要：

  The N'-aroyl-2-(1H-indol-3-yl)-2-oxoacetohydrazide motif was identified as a novel scaffold for the development of kinase inhibitors. Derivatives with a biphenyl element attached to the hydrazide structure proved to be submicromolar dual inhibitors of the cancer-related kinases IGF-1R and SRC. One of the most potent kinase inhibitors of the series produced a selective growth inhibition in a panel of cultivated cancer cell lines. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.03.065

文献信息

• Dual IGF-1R/SRC inhibitors based on a N′-aroyl-2-(1H-indol-3-yl)-2-oxoacetohydrazide structure
  作者：Stefanie Schmidt、Lutz Preu、Thomas Lemcke、Frank Totzke、Christoph Schächtele、Michael H.G. Kubbutat、Conrad Kunick

  DOI：10.1016/j.ejmech.2011.03.065

  日期：2011.7

  The N'-aroyl-2-(1H-indol-3-yl)-2-oxoacetohydrazide motif was identified as a novel scaffold for the development of kinase inhibitors. Derivatives with a biphenyl element attached to the hydrazide structure proved to be submicromolar dual inhibitors of the cancer-related kinases IGF-1R and SRC. One of the most potent kinase inhibitors of the series produced a selective growth inhibition in a panel of cultivated cancer cell lines. (C) 2011 Elsevier Masson SAS. All rights reserved.