2-(4'-hydroxyphenyl)-7-hydroxynaphthalene

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(4'-hydroxyphenyl)-7-hydroxynaphthalene
• 英文别名: 7-(4-hydroxyphenyl)-2-naphthol；7-(4-hydroxyphenyl)naphthalen-2-ol
• 化学式: C₁₆H₁₂O₂
• 分子量: 236.27
• InChiKey: NSCZTZNRMFWAIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4'-hydroxyphenyl)-7-hydroxynaphthalene 、 氯化偏苯三酸酐 在 吡啶 作用下， 以 乙酸乙酯 为溶剂， 以3.5 g的产率得到4-(7-((1,3-dioxo-1,3-dihydroisobenzofuran-5-formyl)oxy)naphthalene-2-yl)phenyl 1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylate
  参考文献：
  名称：

  CN116283941

  摘要：

  公开号：
• 作为产物：
  描述：

  2-methoxy-7-(4-methoxyphenyl)naphthalene 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以84%的产率得到2-(4'-hydroxyphenyl)-7-hydroxynaphthalene
  参考文献：
  名称：

  由苯乙烯-2-甲氧基苯合成2-苯基萘。

  摘要：

  已经描述了一种从富电子的1-苯乙烯基-2-甲氧基苯合成2-苯基萘的简单而有效的新方法。该反应通过TFA催化的CC键裂解进行，然后原位形成的苯乙烯基三氟乙酸酯中间体的分子间[4 + 2] -Diels-Alder环加成反应。量子化学计算确定了环加成反应的过渡态，并有助于追踪反应机理。该方法已被有效地用于合成菲骨架和基于萘的强效选择性ER-β激动剂。

  DOI：

  10.1039/c4cc05151c

文献信息

• Substituted phenyl naphthalenes as estrogenic agents
  申请人：Wyeth

  公开号：US20030181519A1

  公开（公告）日：2003-09-25

  This invention provides estrogen receptor modulators of formula I, having the structure 1 wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , and R 10 , are as defined in the specification, or a pharmaceutically acceptable salt thereof.

  这项发明提供了具有结构的式I的雌激素受体调节剂 1 其中 R 1 ，R 2 ，R 3 ，R 4 ，R 5 ，R 6 ，R 7 ，R 8 ，R 9 和R 10 如规范中所定义，或其药用可接受盐。
• 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。
• Novel uses for estrogen beta agonists
  申请人：Day Mark

  公开号：US20060135574A1

  公开（公告）日：2006-06-22

  This invention provides methods for treating cognitive diseases or disorders and symptoms thereof with estrogen beta selective agonists.

  本发明提供了利用雌激素 beta 选择性激动剂治疗认知疾病或紊乱及其症状的方法。
• ERβ Ligands. 3. Exploiting Two Binding Orientations of the 2-Phenylnaphthalene Scaffold To Achieve ERβ Selectivity
  作者：Richard E. Mewshaw、Richard J. Edsall,、Cuijian Yang、Eric S. Manas、Zhang B. Xu、Ruth A. Henderson、James C. Keith,、Heather A. Harris

  DOI：10.1021/jm058173s

  日期：2005.6.1

  The 2-phenylnaphthalene scaffold was explored as a simplified version of genistein in order to identify ER selective ligands. With the aid of docking studies, positions 1, 4, and 8 of the 2-phenylnaphthalene template were predicted to be the most potentially influential positions to enhance ER selectivity using two different binding orientations. Both orientations have the phenol moiety mimicking the A-ring of genistein. Several compounds predicted to adopt orientations similar to that of genistein when bound to ERbeta were observed to have slightly higher ER affinity and selectivity than genistein. The second orientation we exploited, which was different from that of genistein when bound to ERbeta, resulted in the discovery of several compounds that had superior ER selectivity and affinity versus genistein. X-ray structures of two ER selective compounds (i.e., 15 and 47) confirmed the alternate binding mode and suggested that substituents at positions 1 and 8 were responsible for inducing selectivity. One compound (i.e., 47, WAY-202196) was further examined and found to be effective in two models of inflammation, suggesting that targeting ER may be therapeutically useful in treating certain chronic inflammatory diseases.
• SUBSTITUTED PHENYL NAPHTHALENES AS ESTROGENIC AGENTS
  申请人：Wyeth

  公开号：EP1453782A2

  公开（公告）日：2004-09-08