7-Methoxy-3-(7-methoxy-4-oxo-2-phenyl-chromen-3-yl)-2-phenyl-chromen-4-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 7-Methoxy-3-(7-methoxy-4-oxo-2-phenyl-chromen-3-yl)-2-phenyl-chromen-4-one
• 英文别名: 7-methoxy-3-(7-methoxy-4-oxo-2-phenylchromen-3-yl)-2-phenylchromen-4-one
• 化学式: C₃₂H₂₂O₆
• 分子量: 502.523
• InChiKey: IULHPNNAVFLEJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 以 甲醇 、 水 、 乙腈 为溶剂， 生成 7-Methoxy-3-(7-methoxy-4-oxo-2-phenyl-chromen-3-yl)-2-phenyl-chromen-4-one
  参考文献：
  名称：

  Synthesis and discovery of (I-3,II-3)-biacacetin as a novel non-zinc binding inhibitor of MMP-2 and MMP-9

  摘要：

  Eleven biflavones (7a-b and 9a-i) were synthesised by a simple and efficient protocol and screened for MMP-2 and MMP-9 inhibitory activities. Amongst them, a natural product-like analog, (I-3,II-3)-biacacetin (9h) was found to be the most potent inhibitor. Molecular docking studies suggest that unlike most of the known inhibitors, 9h inhibits MMP-2 and MMP-9 through non-zinc binding interactions. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.03.084

文献信息

• Synthesis and discovery of (I-3,II-3)-biacacetin as a novel non-zinc binding inhibitor of MMP-2 and MMP-9
  作者：Pandurangan Nanjan、Jyotsna Nambiar、Bipin G. Nair、Asoke Banerji

  DOI：10.1016/j.bmc.2015.03.084

  日期：2015.7

  Eleven biflavones (7a-b and 9a-i) were synthesised by a simple and efficient protocol and screened for MMP-2 and MMP-9 inhibitory activities. Amongst them, a natural product-like analog, (I-3,II-3)-biacacetin (9h) was found to be the most potent inhibitor. Molecular docking studies suggest that unlike most of the known inhibitors, 9h inhibits MMP-2 and MMP-9 through non-zinc binding interactions. (C) 2015 Elsevier Ltd. All rights reserved.