[3-(3-Methylbut-2-enyl)-1,4-dioxo-2-naphthyl] 4-bromobenzoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [3-(3-Methylbut-2-enyl)-1,4-dioxo-2-naphthyl] 4-bromobenzoate
• 英文别名: [3-(3-methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl] 4-bromobenzoate
• 化学式: C₂₂H₁₇BrO₄
• 分子量: 425.279
• InChiKey: PQVAIQBWCDDXFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  黄钟花醌 、 4-溴苯甲酰氯 在 lutidine 作用下， 以 二氯甲烷 为溶剂， 反应 0.08h， 以95.7%的产率得到[3-(3-Methylbut-2-enyl)-1,4-dioxo-2-naphthyl] 4-bromobenzoate
  参考文献：
  名称：

  Inhibitory effects of lapachol derivatives on epstein-barr virus activation

  摘要：

  Sixteen derivatives (2-17) synthesized from the naphthoquinone lapachol (1), were tested for their inhibitory effects on Epstein-Barr virus early antigen (EBV-EA) activation induced by 12-O-tetradecanoylphorbol-13-acetate (TPA), as a test for potential cancer chemopreventive agents. They exhibited a variety of inhibitory activities from very high to moderate, which allow us to suggest structure-activity relationships. Ten of these derivatives are reported for the first time, their structures being thoroughly determined by spectroscopic methods. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00542-4

文献信息

• Inhibitory effects of lapachol derivatives on epstein-barr virus activation
  作者：Elisa Pérez Sacau、Ana Estévez-Braun、Ángel G Ravelo、Esteban A Ferro、Harunkuni Tokuda、Teruo Mukainaka、Hoyoku Nishino

  DOI：10.1016/s0968-0896(02)00542-4

  日期：2003.2

  Sixteen derivatives (2-17) synthesized from the naphthoquinone lapachol (1), were tested for their inhibitory effects on Epstein-Barr virus early antigen (EBV-EA) activation induced by 12-O-tetradecanoylphorbol-13-acetate (TPA), as a test for potential cancer chemopreventive agents. They exhibited a variety of inhibitory activities from very high to moderate, which allow us to suggest structure-activity relationships. Ten of these derivatives are reported for the first time, their structures being thoroughly determined by spectroscopic methods. (C) 2002 Elsevier Science Ltd. All rights reserved.