3-bromo-N-[1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-2-methylpropyl]benzenesulfonamide | 1131730-54-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-bromo-N-[1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-2-methylpropyl]benzenesulfonamide
• CAS: 1131730-54-5
• 化学式: C₂₀H₁₈BrNO₆S
• 分子量: 480.336
• InChiKey: ICGDAIPFPIFVLD-UHFFFAOYSA-N

物化性质

• 沸点：
  698.9±65.0 °C(predicted)
• 密度：
  1.614±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  129
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  、 3-溴苯磺酰氯 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 3-bromo-N-[1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-2-methylpropyl]benzenesulfonamide
  参考文献：
  名称：

  Synthesis and biological activity of novel shikonin analogues

  摘要：

  A series of shikonin analogues with side chain variants have been synthesized and evaluated for antitumor activity. These novel analogues show a broad spectrum of in vitro cytotoxicity against various cancer cell lines. Additionally, some analogues were also found to have the ability to decrease the expression level of HIF-1 alpha in breast cancer cells MDA-MB-231 under hypoxia. The features of these analogues suggest their potential in cancer therapy. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.032

文献信息

• Synthesis and biological activity of novel shikonin analogues
  作者：Wenjing Wang、Mei Dai、Caihua Zhu、Jiangang Zhang、Liping Lin、Jian Ding、Wenhu Duan

  DOI：10.1016/j.bmcl.2008.12.032

  日期：2009.2

  A series of shikonin analogues with side chain variants have been synthesized and evaluated for antitumor activity. These novel analogues show a broad spectrum of in vitro cytotoxicity against various cancer cell lines. Additionally, some analogues were also found to have the ability to decrease the expression level of HIF-1 alpha in breast cancer cells MDA-MB-231 under hypoxia. The features of these analogues suggest their potential in cancer therapy. (C) 2008 Elsevier Ltd. All rights reserved.