[4-[(2,5-Dichlorophenyl)methoxy]phenyl]methanol | 946134-82-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [4-[(2,5-Dichlorophenyl)methoxy]phenyl]methanol
• CAS: 946134-82-3
• 化学式: C₁₄H₁₂Cl₂O₂
• mdl: MFCD21509855
• 分子量: 283.154
• InChiKey: SFFINPVYBJJDDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [4-[(2,5-Dichlorophenyl)methoxy]phenyl]methanol 在 甲基磺酰氯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1,4-Dichloro-2-(4-chloromethyl-phenoxymethyl)-benzene
  参考文献：
  名称：

  Discovery of highly potent and selective benzyloxybenzyl-based peroxisome proliferator-activator receptor (PPAR) δ agonists

  摘要：

  A series of 1,4-benzyloxybenzylsulfanylaryl carboxylic acids were prepared and their activities for PPAR receptor subtypes (alpha, beta, and gamma) with potential indications for the treatment of dyslipidemia were investigated. Analog 13a displayed the greatest binding affinity (IC50 = 10 nM) and selectivity (120-fold) for PPAR delta over PPAR alpha. Many of the analogs investigated were found to be highly selective for PPAR delta and were dependent on the point of attachment of the substituent. In the 1,4-series, analog 28e was found to be the most potent (IC50 = 1.7 nM) and selective (> 1000-fold) compound for PPAR delta. None of the compounds tested showed appreciable binding affinity for PPAR gamma. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.046
• 作为产物：
  描述：

  对羟基苯甲醇 、 alkaline earth salt of/the/ methylsulfuric acid 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 生成 [4-[(2,5-Dichlorophenyl)methoxy]phenyl]methanol
  参考文献：
  名称：

  Discovery of highly potent and selective benzyloxybenzyl-based peroxisome proliferator-activator receptor (PPAR) δ agonists

  摘要：

  A series of 1,4-benzyloxybenzylsulfanylaryl carboxylic acids were prepared and their activities for PPAR receptor subtypes (alpha, beta, and gamma) with potential indications for the treatment of dyslipidemia were investigated. Analog 13a displayed the greatest binding affinity (IC50 = 10 nM) and selectivity (120-fold) for PPAR delta over PPAR alpha. Many of the analogs investigated were found to be highly selective for PPAR delta and were dependent on the point of attachment of the substituent. In the 1,4-series, analog 28e was found to be the most potent (IC50 = 1.7 nM) and selective (> 1000-fold) compound for PPAR delta. None of the compounds tested showed appreciable binding affinity for PPAR gamma. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.046

文献信息

• Discovery of highly potent and selective benzyloxybenzyl-based peroxisome proliferator-activator receptor (PPAR) δ agonists
  作者：Larry D. Bratton、Gary F. Filzen、Andrew Geyer、Jennifer K. Hoffman、Gina Lu、Jim Pulaski、Bharat K. Trivedi、Paul C. Unangst、Xiangyang Xu

  DOI：10.1016/j.bmcl.2007.04.046

  日期：2007.7

  A series of 1,4-benzyloxybenzylsulfanylaryl carboxylic acids were prepared and their activities for PPAR receptor subtypes (alpha, beta, and gamma) with potential indications for the treatment of dyslipidemia were investigated. Analog 13a displayed the greatest binding affinity (IC50 = 10 nM) and selectivity (120-fold) for PPAR delta over PPAR alpha. Many of the analogs investigated were found to be highly selective for PPAR delta and were dependent on the point of attachment of the substituent. In the 1,4-series, analog 28e was found to be the most potent (IC50 = 1.7 nM) and selective (> 1000-fold) compound for PPAR delta. None of the compounds tested showed appreciable binding affinity for PPAR gamma. (c) 2007 Elsevier Ltd. All rights reserved.