4-(3,methylhydroxy3-methyltriaz-1-ene)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide

• 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: 4-(3,methylhydroxy3-methyltriaz-1-ene)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
• 英文别名: 4-[[hydroxymethyl(methyl)amino]diazenyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
• 化学式: C₂₅H₂₄N₈O₂
• 分子量: 468.518
• InChiKey: CRNMRKUVIVTISX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  128
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-(5-氨基-2-甲基苯基)-4-(3-吡啶基)-2-氨基嘧啶 在 吡啶 、 4-二甲氨基吡啶 、 铁粉 、 nitrosonium tetrafluoroborate 、 溶剂黄146 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 4.0h， 生成 4-(3,methylhydroxy3-methyltriaz-1-ene)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
  参考文献：
  名称：

  Synthesis of pyrimidinopyridine–triazene conjugates targeted to abl tyrosine kinase

  摘要：

  The synthesis and abl tyrosine kinase inhibitory activities of alkyltriazenes conjugated to phenylaminopyrimidines are described. Significant abl inhibitory activities were observed only when a benzamido spacer was inserted between the 1,23-triazene chain and the 2-phenyaminopyridopyrimidine moiety. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00553-5

文献信息

• Synthesis of pyrimidinopyridine–triazene conjugates targeted to abl tyrosine kinase
  作者：Zakaria Rachid、Athanasia Katsoulas、Fouad Brahimi、Bertrand Jacques Jean-Claude

  DOI：10.1016/s0960-894x(03)00553-5

  日期：2003.10

  The synthesis and abl tyrosine kinase inhibitory activities of alkyltriazenes conjugated to phenylaminopyrimidines are described. Significant abl inhibitory activities were observed only when a benzamido spacer was inserted between the 1,23-triazene chain and the 2-phenyaminopyridopyrimidine moiety. (C) 2003 Elsevier Ltd. All rights reserved.