4-tert-butyl-N-(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)benzenesulfonamide | 1586824-01-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-tert-butyl-N-(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)benzenesulfonamide
• CAS: 1586824-01-2
• 化学式: C₂₅H₂₃N₃O₃S
• 分子量: 445.542
• InChiKey: XWBCNJWABHWNOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  87.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(氨基甲基)-4-硝基苯胺 在 吡啶 、 palladium on activated charcoal 、 氢气 作用下， 以 甲醇 为溶剂， 反应 5.17h， 生成 4-tert-butyl-N-(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)benzenesulfonamide
  参考文献：
  名称：

  Synthesis of batracylin and its N-sulfonamido analogues in [b-3C-im][NTf2] ionic liquid

  摘要：

  Starting with commercial and inexpensive reagents, a high-yielding chemical process carried out in [b-3C-im][NTf2] ionic liquid was achieved to afford the synthesis of batracylin and its N-sulfonamido analogues. Among all compounds synthesized, compounds 1, 11, and 14 exhibit potent inhibitory activity against human topoisomerase 1 (hTop1). (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.02.076

文献信息

• Synthesis of batracylin and its N-sulfonamido analogues in [b-3C-im][NTf2] ionic liquid
  作者：Ming-Chung Tseng、Peng-Yeh Lai、Lin Shi、Hsin-Yi Li、Min-Jen Tseng、Yen-Ho Chu

  DOI：10.1016/j.tet.2014.02.076

  日期：2014.4

  Starting with commercial and inexpensive reagents, a high-yielding chemical process carried out in [b-3C-im][NTf2] ionic liquid was achieved to afford the synthesis of batracylin and its N-sulfonamido analogues. Among all compounds synthesized, compounds 1, 11, and 14 exhibit potent inhibitory activity against human topoisomerase 1 (hTop1). (C) 2014 Elsevier Ltd. All rights reserved.