18-Bromo-3,11,22-triazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2,4,6,8,15,17,19,21-nonaen-10-one | 1266691-21-7

• 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: 18-Bromo-3,11,22-triazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2,4,6,8,15,17,19,21-nonaen-10-one
• CAS: 1266691-21-7
• 化学式: C₁₉H₁₂BrN₃O
• 分子量: 378.228
• InChiKey: JXKYTJUCPRIMBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  靛红酸酐 在 ytterbium(III) triflate 作用下， 以 邻二甲苯 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 18-Bromo-3,11,22-triazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2,4,6,8,15,17,19,21-nonaen-10-one
  参考文献：
  名称：

  One-Pot Synthesis of Luotonin A and Its Analogues

  摘要：

  Starting with inexpensive reagents, a self-directed chemical process with the aid of a single metal triflate was readily achieved to concomitantly construct quinazoline and pyrroloquinoline cores to afford the synthesis of luotonin A and its analogues. Among all compounds prepared, 2c, 2d, and 3b exhibit more potent inhibitory activity than luotonin A against human topoisomerase I.

  DOI：

  10.1021/ol1029707

文献信息

• One-Pot Synthesis of Luotonin A and Its Analogues
  作者：Ming-Chung Tseng、Yu-Wan Chu、Hsiang-Ping Tsai、Chun-Mao Lin、Jaulang Hwang、Yen-Ho Chu

  DOI：10.1021/ol1029707

  日期：2011.3.4

  Starting with inexpensive reagents, a self-directed chemical process with the aid of a single metal triflate was readily achieved to concomitantly construct quinazoline and pyrroloquinoline cores to afford the synthesis of luotonin A and its analogues. Among all compounds prepared, 2c, 2d, and 3b exhibit more potent inhibitory activity than luotonin A against human topoisomerase I.