4,5-Dimethoxy-2-(4-methylamino-benzoylamino)-benzamide | 334025-80-8

• 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: 4,5-Dimethoxy-2-(4-methylamino-benzoylamino)-benzamide
• 英文别名: 4,5-dimethoxy-2-[[4-(methylamino)benzoyl]amino]benzamide
• CAS: 334025-80-8
• 化学式: C₁₇H₁₉N₃O₄
• 分子量: 329.356
• InChiKey: SZXLJQUYNHHSMU-UHFFFAOYSA-N

物化性质

• 沸点：
  426.2±45.0 °C(Predicted)
• 密度：
  1.294±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  102.68
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-甲基-N-苯基氨基甲酰氯 、 4,5-Dimethoxy-2-(4-methylamino-benzoylamino)-benzamide 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 以36%的产率得到N-[4-[(4,5-Dimethoxy-2-carbamoylphenyl)aminocarbonyl]phenyl]-N,N'-dimethyl-N'-phenylurea
  参考文献：
  名称：

  Synthesis and structure–activity relationship of diarylamide urea derivatives as selective inhibitors of the proliferation of human coronary artery smooth muscle cells

  摘要：

  A series of diarylamide urea derivatives were synthesized and evaluated for their inhibitory activities against human coronary artery smooth muscle cells (SMCs) and human coronary artery endothelial cells (ECs). Compound 2o was superior to the lead compound, Tranilast, in terms of its potency of the inhibitory activity and cell selectivity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00012-3
• 作为产物：
  描述：

  4,5-二甲氧基-2-硝基苯甲酰胺 在 palladium on activated charcoal 氢气 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 69.0h， 生成 4,5-Dimethoxy-2-(4-methylamino-benzoylamino)-benzamide
  参考文献：
  名称：

  Synthesis and structure–activity relationship of diarylamide urea derivatives as selective inhibitors of the proliferation of human coronary artery smooth muscle cells

  摘要：

  A series of diarylamide urea derivatives were synthesized and evaluated for their inhibitory activities against human coronary artery smooth muscle cells (SMCs) and human coronary artery endothelial cells (ECs). Compound 2o was superior to the lead compound, Tranilast, in terms of its potency of the inhibitory activity and cell selectivity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00012-3