5-phenethyloxy-resorcinol | 109564-82-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-phenethyloxy-resorcinol
• 英文别名: 5-Phenaethyloxy-resorcin
• CAS: 109564-82-1
• 化学式: C₁₄H₁₄O₃
• 分子量: 230.263
• InChiKey: UQZVOSPXABTKMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.72
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  49.69
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  间苯三酚 、 苯乙醇 在 1,4-二氧六环 、 盐酸 作用下， 生成 5-phenethyloxy-resorcinol
  参考文献：
  名称：

  Ethers of Phloroglucinol

  摘要：

  DOI：

  10.1021/ja01602a049

文献信息

• SAR studies of acidic dual γ-secretase/PPARγ modulators
  作者：Martina Hieke、Julia Ness、Ramona Steri、Christine Greiner、Oliver Werz、Manfred Schubert-Zsilavecz、Sascha Weggen、Heiko Zettl

  DOI：10.1016/j.bmc.2011.08.003

  日期：2011.9

  A novel set of dual gamma-secretase/PPAR gamma modulators characterized by a 2-benzyl hexanoic acid scaffold is presented. Synthetic efforts were focused on the variation of the substitution pattern of the central benzene. Finally, we obtained a new class of 2,5-disubstituted 2-benzylidene hexanoic acid derivatives, which act as dual gamma-secretase/PPAR gamma modulators in the low micromolar range. We have explored broad SAR and successfully improved the dual pharmacological activity and the selectivity profile against potential off-targets such as NOTCH and COX. Compound 17 showed an IC50 A beta 42 = 2.4 mu M and an EC50 PPAR gamma = 7.2 mu M and could be a valuable tool to further evaluate the concept of dual gamma-secretase/PPAR gamma modulators in animal models of Alzheimer's disease. (C) 2011 Elsevier Ltd. All rights reserved.
• Ethers of Phloroglucinol
  作者：Joseph C. Touchstone、James Ashmore、Max N. Huffman

  DOI：10.1021/ja01602a049

  日期：1956.11