5-Hydroxy-2-(4-hydroxy-phenyl)-7-methoxy-benzofuran-4-carbaldehyde oxime | 551001-76-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: 5-Hydroxy-2-(4-hydroxy-phenyl)-7-methoxy-benzofuran-4-carbaldehyde oxime
• 英文别名: 4-(hydroxyiminomethyl)-2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol
• CAS: 551001-76-4
• 化学式: C₁₆H₁₃NO₅
• 分子量: 299.283
• InChiKey: PIBUMJLOQIOFSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  95.4
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-Hydroxy-2-(4-hydroxy-phenyl)-7-methoxy-benzofuran-4-carbaldehyde oxime 在 伯吉斯试剂 作用下， 生成 5-Hydroxy-2-(4-hydroxy-phenyl)-7-methoxy-benzofuran-4-carbonitrile
  参考文献：
  名称：

  7-Substituted 2-phenyl-benzofurans as ERβ selective ligands

  摘要：

  A series of 2-(4-hydroxy-phenyl)-benzofuran-5-ols with relatively lipophilic groups in the 7-position of the benzofuran was prepared and the affinity and selectivity for ERbeta was measured. Many of the analogues were found to be potent and selective ERbeta ligands. Additional modifications at the benzofuran 4-position as well as at the 3'-position of the 2-phenyl group were found to further increase selectivity. Such modifications led to compounds with <10nM potency and >100-fold selectivity for ERbeta. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.029
• 作为产物：
  描述：

  5-Hydroxy-2-(4-hydroxy-phenyl)-7-methoxy-benzofuran-4-carbaldehyde 在 羟胺 作用下， 生成 5-Hydroxy-2-(4-hydroxy-phenyl)-7-methoxy-benzofuran-4-carbaldehyde oxime
  参考文献：
  名称：

  7-Substituted 2-phenyl-benzofurans as ERβ selective ligands

  摘要：

  A series of 2-(4-hydroxy-phenyl)-benzofuran-5-ols with relatively lipophilic groups in the 7-position of the benzofuran was prepared and the affinity and selectivity for ERbeta was measured. Many of the analogues were found to be potent and selective ERbeta ligands. Additional modifications at the benzofuran 4-position as well as at the 3'-position of the 2-phenyl group were found to further increase selectivity. Such modifications led to compounds with <10nM potency and >100-fold selectivity for ERbeta. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.029

文献信息

• Substituted 2-phenyl benzofurans as estrogenic agents
  申请人：Wyeth

  公开号：US20030171428A1

  公开（公告）日：2003-09-11

  This invention provides estrogen receptor modulators of formula I, having the structure 1 wherein R, R′, A, A′, X, Y, and Y are as defined in the specification, or a pharmaceutically acceptable salt thereof.

  该发明提供了具有结构式1的雌激素受体调节剂，其中R、R'、A、A'、X、Y和Y如规范中所定义，或其药学上可接受的盐。