N-(3-((4-(phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide

• 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: N-(3-((4-(phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide
• 英文别名: N-[3-[(4-anilino-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyrrolidine-1-carboxamide
• 化学式: C₂₃H₂₃N₇O
• 分子量: 413.482
• InChiKey: ANWOUGIEHKDZTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  98
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,4-二氯-7-甲苯磺酰-7H-吡咯并[2,3-d]嘧啶 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium carbonate 、 N,N-二异丙基乙胺 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 35.0h， 生成 N-(3-((4-(phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide
  参考文献：
  名称：

  Synthesis and biological evaluation of 2-anilino-4-substituted-7H-pyrrolopyrimidines as PDK1 inhibitors

  摘要：

  PDK1, a biological target that has attracted a large amount of attention recently, is responsible for the positive regulation of the PI3K/Akt pathway that is often activated in a large number of human cancers. A series of second-generation 2-anilino-4-substituted-7H-pyrrolopyrimidines were synthesised by installation of various functions at the 4-position of the 7H-pyrrolopyrimidine scaffold. All compounds were screened against the isolated PDK1 enzyme and dose response analysis was obtained on the best compounds of the series.

  DOI：

  10.1016/j.bmc.2014.06.018

文献信息

• Synthesis and biological evaluation of 2-anilino-4-substituted-7H-pyrrolopyrimidines as PDK1 inhibitors
  作者：Nathan J. O’Brien、Martin Brzozowski、Melissa J. Buskes、Leslie W. Deady、Belinda M. Abbott

  DOI：10.1016/j.bmc.2014.06.018

  日期：2014.8

  PDK1, a biological target that has attracted a large amount of attention recently, is responsible for the positive regulation of the PI3K/Akt pathway that is often activated in a large number of human cancers. A series of second-generation 2-anilino-4-substituted-7H-pyrrolopyrimidines were synthesised by installation of various functions at the 4-position of the 7H-pyrrolopyrimidine scaffold. All compounds were screened against the isolated PDK1 enzyme and dose response analysis was obtained on the best compounds of the series.