N-(4-Nitrophenyl)-N'-[4-[(4,5-dimethoxy-2-ethoxycarbonylphenyl)-aminocarbonyl]phenyl]urea | 334024-93-0

• 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-(4-Nitrophenyl)-N'-[4-[(4,5-dimethoxy-2-ethoxycarbonylphenyl)-aminocarbonyl]phenyl]urea
• 英文别名: Ethyl 4,5-dimethoxy-2-[[4-[(4-nitrophenyl)carbamoylamino]benzoyl]amino]benzoate
• CAS: 334024-93-0
• 化学式: C₂₅H₂₄N₄O₈
• 分子量: 508.488
• InChiKey: RTVDDSXDEMSWER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  161
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-(4-Nitrophenyl)-N'-[4-[(4,5-dimethoxy-2-ethoxycarbonylphenyl)-aminocarbonyl]phenyl]urea 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 14.0h， 以33%的产率得到N-(4-Aminophenyl)-N'-[4-[(4,5-dimethoxy-2-ethoxycarbonylphenyl)-aminocarbonyl]phenyl]urea
  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：

  6-硝基藜芦酸 在 palladium on activated charcoal 4-二甲氨基吡啶 、 硫酸 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 反应 64.5h， 生成 N-(4-Nitrophenyl)-N'-[4-[(4,5-dimethoxy-2-ethoxycarbonylphenyl)-aminocarbonyl]phenyl]urea
  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

文献信息

• NOVEL DIARYLAMIDE DERIVATIVES AND USE THEREOF AS MEDICINES
  申请人：Japan Energy Corporation

  公开号：EP1229010A1

  公开（公告）日：2002-08-07

  This invention relates to a diarylamide derivative represented by formula (1) or a salt thereof and a pharmaceutical composition comprising, as an active ingredient, the compound: wherein,    A and B denote an aromatic ring such as a benzene ring; COY and NHCOX are adjacent to each other and these substituents are linked to carbon in the aromatic ring A; X denotes alkylene, alkyleneoxy, or a single bond; Y denotes an alkyl, alkoxy, hydroxyl, or substituted or unsubstituted amino group; R1 denotes hydrogen, halogen, hydroxyl, alkyl or the like, provided that, when A denotes a benzene ring, R1 does not denote hydrogen; R2 denotes hydrogen, halogen, hydroxyl, alkyl or the like; R3 and R4 denote a substituted or unsubstituted imino group, an oxygen atom, or a single bond; R5 denotes alkyl, substituted or unsubstituted phenyl or the like; and Z denotes oxygen or sulfur.

  这项发明涉及一种由式（1）表示的二芳基酰胺衍生物或其盐，以及包括该化合物作为活性成分的药物组合物：其中，A和B表示芳香环，如苯环；COY和NHCOX相邻且这些取代基与芳香环A中的碳相连；X表示烷基，烷氧基或单键；Y表示烷基，烷氧基，羟基，或取代或未取代的氨基团；R1表示氢，卤素，羟基，烷基或类似物，但当A表示苯环时，R1不表示氢；R2表示氢，卤素，羟基，烷基或类似物；R3和R4表示取代或未取代的亚胺基团，氧原子或单键；R5表示烷基，取代或未取代的苯基或类似物；Z表示氧或硫。
• Synthesis and structure–activity relationship of diarylamide urea derivatives as selective inhibitors of the proliferation of human coronary artery smooth muscle cells
  作者：H Ogita

  DOI：10.1016/s0968-0896(02)00012-3

  日期：2002.6

  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.