2-(4,5,6,7-tetrabromo-1H-1,2,3-benzotriazol-1-yl)ethanol | 871816-24-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 2-(4,5,6,7-tetrabromo-1H-1,2,3-benzotriazol-1-yl)ethanol
• 英文别名: 2-(perbromo-1H-benzo[d][1,2,3]triazol-1-yl)ethanol；2-(4,5,6,7-tetrabromobenzotriazol-1-yl)ethanol
• CAS: 871816-24-9
• 化学式: C₈H₅Br₄N₃O
• 分子量: 478.763
• InChiKey: QWDBOMATCGXNGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  50.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4,5,6,7-四溴苯甲腈 、 2-溴乙醇 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 12.0h， 生成 2-(4,5,6,7-tetrabromo-2H-1,2,3-benzotriazol-2-yl)ethanol 、 2-(4,5,6,7-tetrabromo-1H-1,2,3-benzotriazol-1-yl)ethanol
  参考文献：
  名称：

  Synthesis of new analogs of benzotriazole, benzimidazole and phthalimide—potential inhibitors of human protein kinase CK2

  摘要：

  New derivatives of 4,5,6,7-tetrabromo-1H-1,2,3-benzotriazole (TBBt), 4,5,6,7-tetrabromo-1H-benzimidazole (TBBi), and N-substituted tetrabromophthalimides were synthesized and their effect on the activity of human protein kinase CK2 was examined. The most active were derivatives with N-hydroxypropyl substituents (IC50 in 0.32-0.54 mu M range) whereas derivatives of phthalimide were almost ineffective. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.12.071

文献信息

• Synthesis of new analogs of benzotriazole, benzimidazole and phthalimide—potential inhibitors of human protein kinase CK2
  作者：Andzelika Najda-Bernatowicz、Maja Łebska、Andrzej Orzeszko、Katarzyna Kopańska、Ewa Krzywińska、Grażyna Muszyńska、Maria Bretner

  DOI：10.1016/j.bmc.2008.12.071

  日期：2009.2

  New derivatives of 4,5,6,7-tetrabromo-1H-1,2,3-benzotriazole (TBBt), 4,5,6,7-tetrabromo-1H-benzimidazole (TBBi), and N-substituted tetrabromophthalimides were synthesized and their effect on the activity of human protein kinase CK2 was examined. The most active were derivatives with N-hydroxypropyl substituents (IC50 in 0.32-0.54 mu M range) whereas derivatives of phthalimide were almost ineffective. (c) 2009 Elsevier Ltd. All rights reserved.