4-[5-(4-Hydroxyphenyl)-2-phenylpyrazol-3-yl]phenol | 151464-46-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[5-(4-Hydroxyphenyl)-2-phenylpyrazol-3-yl]phenol
• 英文别名: 4-[5-(4-hydroxyphenyl)-2-phenylpyrazol-3-yl]phenol
• CAS: 151464-46-9
• 化学式: C₂₁H₁₆N₂O₂
• 分子量: 328.37
• InChiKey: AJSLYFWSJDMYLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,3-双(4-甲氧基苯基)1,3-丙二酮 、 苯肼,盐酸盐 生成 4-[5-(4-Hydroxyphenyl)-2-phenylpyrazol-3-yl]phenol
  参考文献：
  名称：

  Hergenrother, Paul M., Recueil des Travaux Chimiques des Pays-Bas, 1991, vol. 110, # 12, p. 481 - 491

  摘要：

  DOI：

文献信息

• [EN] ESTROGEN RECEPTOR LIGANDS<br/>[FR] LIGANDS SE LIANT AUX RECEPTEURS D'OESTROGENES
  申请人：UNIV ILLINOIS

  公开号：WO2000019994A1

  公开（公告）日：2000-04-13

  This invention provides non-steroidal estrogen receptor ligands having a modular structure that is amenable to solid phase synthesis and the application of combinatorial synthetic methods to prepare these estrogen receptor ligands. ER ligands of this invention consist of a core scaffold that is a carbocyclic or heterocyclic-5-member ring that has two double bonds or a 6-member aromatic ring. A plurality of selected substituents are bonded to the ring substantially independently of other substituents. The modular structure of these compounds allows for synthesis of a very large numer of substituent structural variations, substituent combinations and substituent positioning on the core. The structural variants of the ER ligands of this invention exhibit a spectrum of selective affinities for ERα and ERβ and a spectrum of agonist/antagonist properties.