| 1131730-40-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1131730-40-9
• 化学式: C₁₄H₁₄O₄
• 分子量: 246.263
• InChiKey: FHXYLQDXBCYSKO-UHFFFAOYSA-N

物化性质

• 沸点：
  462.8±45.0 °C(predicted)
• 密度：
  1.222±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.77
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 盐酸羟胺 、 sodium acetate 作用下， 以 甲醇 为溶剂， 生成
  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
• 作为产物：
  描述：

  2-acetyl-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene-4-one 在 联苯 、 palladium 10% on activated carbon 作用下， 以 萘烷 为溶剂， 以66%的产率得到
  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