2,4,6,2',4'-pentamethoxy-deoxybenzoin | 521291-07-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2,4,6,2',4'-pentamethoxy-deoxybenzoin
• 英文别名: 2,4,6,2',4'-Pentamethoxy-desoxybenzoin；2-(2,4-Dimethoxy-phenyl)-1-(2,4,6-trimethoxy-phenyl)-ethanone；2-(2,4-Dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)ethan-1-one；2-(2,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)ethanone
• CAS: 521291-07-6
• 化学式: C₁₉H₂₂O₆
• 分子量: 346.38
• InChiKey: QCNKCUQNLLRUKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,4,6,2',4'-pentamethoxy-deoxybenzoin 在 吗啉 、 三氯化铝 、 吡啶盐酸盐 、 三溴化硼 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 四氢呋喃 、 二氯甲烷 、 氯仿 为溶剂， 生成 1,3,8-三羟基-11H-苯并呋喃并[2,3-b][1]苯并吡喃-11-酮
  参考文献：
  名称：

  Constrained phytoestrogens and analogues as ERβ selective ligands

  摘要：

  A new series of ERbeta (ERbeta) selective ligands has been prepared. One of the compounds 6, structurally related to the phytoestrogen apigenin 4, displays a binding preference for ERbeta over ERalpha of over 40-fold. In addition to its binding selectivity, 6 was able to potently induce metallothionein (an ERbeta specific response in human SAOS-2 cells) while demonstrating low potency in an ERalpha dependant ERE-tk luciferase assay in MCF-7 cells. Such receptor and cell selectivity could make 6 a useful molecular probe for better understanding the role of ERbeta in mammalian physiology. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00394-9
• 作为产物：
  描述：

  1-(2'-hydroxy-4',6'-dimethoxyphenyl)-2-(2",4"-dimethoxyphenyl)ethanone 在 氢氧化钾 、 sodium 、 钯 、 溶剂黄146 作用下， 生成 2,4,6,2',4'-pentamethoxy-deoxybenzoin
  参考文献：
  名称：

  928.硬木提取物的化学。第十部分。铁蛋白和高铁蛋白的组成

  摘要：

  DOI：

  10.1039/jr9520004752

文献信息

• Substituted 10,11-benzo[b]fluoren-10-ones as estrogenic agents
  申请人：Wyeth

  公开号：US20030087955A1

  公开（公告）日：2003-05-08

  This invention provides estrogen receptor modulators of formula 1, having the structure 1 wherein X, Y 1 , Y 2 , Y 3 , Y 4 , Z 1 , Z 2 , Z 3 , and Z 4 are as defined in the specification, or a pharmaceutically acceptable salt thereof.

  这项发明提供了公式1的雌激素受体调节剂，具有结构 1 其中 X，Y 1 ，Y 2 ，Y 3 ，Y 4 ，Z 1 ，Z 2 ，Z 3 和Z 4 如规范中定义，或其药用可接受盐。
• Substituted 10,11-benzo[b]fluoren-10-ones as estrogenic agents
  申请人：Wyeth

  公开号：US06589980B2

  公开（公告）日：2003-07-08

  This invention provides estrogen receptor modulators of formula I, having the structure wherein X, Y1, Y2, Y3, Y4, Z1, Z2, Z3, and Z4 are as defined in the specification, or a pharmaceutically acceptable salt thereof.

  本发明提供了公式I的雌激素受体调节剂，其结构为X，Y1，Y2，Y3，Y4，Z1，Z2，Z3和Z4如规范中所定义，或其药学上可接受的盐。
• US6589980B2
  申请人：——

  公开号：US6589980B2

  公开（公告）日：2003-07-08
• Constrained phytoestrogens and analogues as ERβ selective ligands
  作者：Chris P Miller、Michael D Collini、Heather A Harris

  DOI：10.1016/s0960-894x(03)00394-9

  日期：2003.7

  A new series of ERbeta (ERbeta) selective ligands has been prepared. One of the compounds 6, structurally related to the phytoestrogen apigenin 4, displays a binding preference for ERbeta over ERalpha of over 40-fold. In addition to its binding selectivity, 6 was able to potently induce metallothionein (an ERbeta specific response in human SAOS-2 cells) while demonstrating low potency in an ERalpha dependant ERE-tk luciferase assay in MCF-7 cells. Such receptor and cell selectivity could make 6 a useful molecular probe for better understanding the role of ERbeta in mammalian physiology. (C) 2003 Elsevier Science Ltd. All rights reserved.
• 928. The chemistry of extractives from hardwoods. Part X. The constitution of ferreirin and of homoferreirin
  作者：F. E. King、K. G. Neill

  DOI：10.1039/jr9520004752

  日期：——