5-Hydroxy-2-(4-hydroxy-phenyl)-benzofuran-7-carboxylic acid methoxy-methyl-amide | 551002-09-6

• 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)-benzofuran-7-carboxylic acid methoxy-methyl-amide
• 英文别名: 5-hydroxy-2-(4-hydroxyphenyl)-N-methoxy-N-methyl-1-benzofuran-7-carboxamide
• CAS: 551002-09-6
• 化学式: C₁₇H₁₅NO₅
• 分子量: 313.31
• InChiKey: ACQPVWQNGUSBDU-UHFFFAOYSA-N

物化性质

• 沸点：
  585.7±50.0 °C(predicted)
• 密度：
  1.361±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  83.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-Hydroxy-2-(4-hydroxy-phenyl)-benzofuran-7-carboxylic acid methoxy-methyl-amide 在 盐酸 、 LiAlH4 作用下， 以 四氢呋喃 为溶剂， 以51%的产率得到5-Hydroxy-2-(4-hydroxy-phenyl)-benzofuran-7-carbaldehyde
  参考文献：
  名称：

  Substituted 2-phenyl benzofurans as estrogenic agents

  摘要：

  这项发明提供了具有结构1的式I的雌激素受体调节剂，其中R、R'、A、A'、X、Y和Y如规范中定义，或其药用可接受盐。

  公开号：

  US20030171428A1
• 作为产物：
  描述：

  Methyl 5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-carboxylate 在 吡啶盐酸盐 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-Hydroxy-2-(4-hydroxy-phenyl)-benzofuran-7-carboxylic acid methoxy-methyl-amide
  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

• PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION
  申请人：CHANG Chien-Neng

  公开号：US20090010884A1

  公开（公告）日：2009-01-08

  The present invention provides compositions and methods for preventing, treating, or inhibiting inflammatory diseases, disorders, or conditions of the skin, and diseases, disorders, or conditions associated with collagen depletion using one or more estrogenic agents.

  本发明提供了使用一个或多个雌激素类药物预防、治疗或抑制皮肤炎症性疾病、紊乱或状况以及与胶原蛋白流失相关的疾病、紊乱或状况的组合物和方法。
• SUBSTITUTED 2-PHENYL BENZOFURANS AS ESTROGENIC AGENTS
  申请人：Wyeth

  公开号：EP1458700A2

  公开（公告）日：2004-09-22
• US6774248B2
  申请人：——

  公开号：US6774248B2

  公开（公告）日：2004-08-10
• US7022733B2
  申请人：——

  公开号：US7022733B2

  公开（公告）日：2006-04-04
• [EN] SUBSTITUTED 2-PHENYL BENZOFURANS AS ESTROGENIC AGENTS<br/>[FR] 2-PHENYL BENZOFURANES SUBSTITUES COMME AGENTS OESTROGENIQUES
  申请人：WYETH CORP

  公开号：WO2003051860A2

  公开（公告）日：2003-06-26

  This invention provides estrogen receptor modulators of formula I, having the structure (formula I) wherein P and P’ are each, independently, hydrogen, alkyl of 1-6 carbon atoms, or acyl of 2-7 carbon atoms; X is hydrogen or halogen; R is hydrogen, alkyl of 1-6 carbon atoms, halogen, -CN, or-CHO; R’ is alkoxy of 1-6 carbon atoms, or cyanoalkyl having 1-6 carbon atoms in the alkyl moiety; or a pharmaceutically acceptable salt thereof.