[7-Methoxy-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]quinazolin-6-yl] acetate | 687995-79-5

• 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: [7-Methoxy-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]quinazolin-6-yl] acetate
• CAS: 687995-79-5
• 化学式: C₂₈H₂₈N₆O₅
• 分子量: 528.568
• InChiKey: GCSXSPQADDTTHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  [7-Methoxy-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]quinazolin-6-yl] acetate 在 氨 、 caesium carbonate 作用下， 以 甲醇 、 N,N-二甲基乙酰胺 为溶剂， 生成 N-{3-[7-Methoxy-6-(2-piperidin-1-yl-ethoxy)-quinazolin-4-ylamino]-4-methyl-phenyl}-2-morpholin-4-yl-isonicotinamide
  参考文献：
  名称：

  Novel, potent and selective anilinoquinazoline and anilinopyrimidine inhibitors of p38 MAP kinase

  摘要：

  SAR studies led to the identification of 4-(3-benzoylamino-6-methyl-anilino)quinazolines as potent and selective inhibitors of p38 MAP kinase. Further optimisation led to the identification of a series of 4-(3-benzoylamino-6-methyl-anilino)pyr midines as potent inhibitors of the p38 MAP kinase signalling pathway in vitro and in vivo. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.007
• 作为产物：
  描述：

  N-(4-methyl-3-nitrophenyl)-2-morpholinopyridine-4-carboxamide 在 盐酸 、 铁粉 、 溶剂黄146 作用下， 以 异丙醇 为溶剂， 生成 [7-Methoxy-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]quinazolin-6-yl] acetate
  参考文献：
  名称：

  Novel, potent and selective anilinoquinazoline and anilinopyrimidine inhibitors of p38 MAP kinase

  摘要：

  SAR studies led to the identification of 4-(3-benzoylamino-6-methyl-anilino)quinazolines as potent and selective inhibitors of p38 MAP kinase. Further optimisation led to the identification of a series of 4-(3-benzoylamino-6-methyl-anilino)pyr midines as potent inhibitors of the p38 MAP kinase signalling pathway in vitro and in vivo. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.007