7-(2,3-Dihydroxypropoxy)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxychromen-4-one | 1400681-46-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 7-(2,3-Dihydroxypropoxy)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxychromen-4-one
• 英文别名: 7-(2,3-dihydroxypropoxy)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxychromen-4-one
• CAS: 1400681-46-0
• 化学式: C₂₂H₂₂O₁₀
• 分子量: 446.411
• InChiKey: ZQNXEIGRJBTAMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  O⁷-demethyl glaziovianin A 在 吡啶 、 四氧化锇 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 6.5h， 生成 7-(2,3-Dihydroxypropoxy)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxychromen-4-one
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of the analogues of glaziovianin A, a potent antitumor isoflavone

  摘要：

  Various analogues of glaziovianin A, an antitumor isoflavone, were synthesized, and their biological activities were evaluated. O-7-modified glaziovianin A showed strong cytotoxicity against HeLa S-3 cells. Compared to glaziovianin A, the O-7-benzyl and O-7-propargyl analogues were more cytotoxic against HeLa S-3 cells and more potent M-phase inhibitors. Furthermore, O-7-modified molecular probes of glaziovianin A were synthesized for biological studies. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.08.005

文献信息

• Design, synthesis, and biological evaluation of the analogues of glaziovianin A, a potent antitumor isoflavone
  作者：Ichiro Hayakawa、Akiyuki Ikedo、Takumi Chinen、Takeo Usui、Hideo Kigoshi

  DOI：10.1016/j.bmc.2012.08.005

  日期：2012.10

  Various analogues of glaziovianin A, an antitumor isoflavone, were synthesized, and their biological activities were evaluated. O-7-modified glaziovianin A showed strong cytotoxicity against HeLa S-3 cells. Compared to glaziovianin A, the O-7-benzyl and O-7-propargyl analogues were more cytotoxic against HeLa S-3 cells and more potent M-phase inhibitors. Furthermore, O-7-modified molecular probes of glaziovianin A were synthesized for biological studies. (C) 2012 Elsevier Ltd. All rights reserved.