1-Cyclohexyl-3-ethyl-1-methyl-3-[3-(2-oxo-1,2-dihydro-quinolin-6-yloxy)-propyl]-urea | 189362-11-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-Cyclohexyl-3-ethyl-1-methyl-3-[3-(2-oxo-1,2-dihydro-quinolin-6-yloxy)-propyl]-urea
• 英文别名: Urea, N-cyclohexyl-Na(2)-[3-[(1,2-dihydro-2-oxo-6-quinolinyl)oxy]propyl]-Na(2)-ethyl-N-methyl-；1-cyclohexyl-3-ethyl-1-methyl-3-[3-[(2-oxo-1H-quinolin-6-yl)oxy]propyl]urea
• CAS: 189362-11-6
• 化学式: C₂₂H₃₁N₃O₃
• 分子量: 385.506
• InChiKey: GKFSCVYDJKSMKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  61.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-甲基环己胺 在 吡啶 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 1-Cyclohexyl-3-ethyl-1-methyl-3-[3-(2-oxo-1,2-dihydro-quinolin-6-yloxy)-propyl]-urea
  参考文献：
  名称：

  2(1H)-Quinolinone derivatives as novel anti-arteriostenotic agents showing anti-thrombotic and anti-hyperplastic activities

  摘要：

  In order to search for anti-arteriostenotic agents, a series of 2(1H)-quinolinone derivatives was synthesized and evaluated for anti-thrombotic activity and for anti-hyperplastic activity. From this series, (-)-6-[3-[3-cyclopropyl-3-[(1R,2R)-2-hydroxycyclohexyl]ureido] propoxy]-2(1H)-quinolinone (1p, OPC-33509) was selected as the best candidate by balancing the efficacy on anti-thrombosis and anti-hyperplasia. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00246-7