N-(3-{[7-Methoxy-6-(2-Pyrrolidin-1-Ylethoxy)quinazolin-4-Yl]amino}-4-Methylphenyl)-2-Morpholin-4-Ylisonicotinamide

• 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-{[7-Methoxy-6-(2-Pyrrolidin-1-Ylethoxy)quinazolin-4-Yl]amino}-4-Methylphenyl)-2-Morpholin-4-Ylisonicotinamide
• 英文别名: N-[3-[[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide
• 化学式: C₃₂H₃₇N₇O₄
• 分子量: 583.69
• InChiKey: LGTPGGBSDIEHKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  43
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  N-(3-amino-4-methylphenyl)-2-morpholinopyridine-4-carboxamide 在 盐酸 、 氨 、 caesium carbonate 作用下， 以 甲醇 、 N,N-二甲基乙酰胺 、 异丙醇 为溶剂， 生成 N-(3-{[7-Methoxy-6-(2-Pyrrolidin-1-Ylethoxy)quinazolin-4-Yl]amino}-4-Methylphenyl)-2-Morpholin-4-Ylisonicotinamide
  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

文献信息

• Novel, potent and selective anilinoquinazoline and anilinopyrimidine inhibitors of p38 MAP kinase
  作者：John G. Cumming、Caroline L. McKenzie、Stuart G. Bowden、Douglas Campbell、David J. Masters、Jason Breed、Philip J. Jewsbury

  DOI：10.1016/j.bmcl.2004.08.007

  日期：2004.11

  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.