4-(4-bromophenoxy)benzamide | 1019535-88-6

• 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-(4-bromophenoxy)benzamide
• CAS: 1019535-88-6
• 化学式: C₁₃H₁₀BrNO₂
• mdl: MFCD11135489
• 分子量: 292.132
• InChiKey: KXIGZUHAVLSCCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-[(2S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-2-methoxybenzaldehyde 、 4-(4-bromophenoxy)benzamide 在 三乙基硅烷 、 三氟乙酸 作用下， 以 甲苯 为溶剂， 反应 48.0h， 生成 N-(5-((S)-2-((R)-4-benzyl-2-oxooxazolidine-3-carbonyl)butyl)-2-methoxybenzyl)-4-(4-bromophenoxy)benzamide
  参考文献：
  名称：

  Structure-based design, synthesis, and nonalcoholic steatohepatitis (NASH)-preventive effect of phenylpropanoic acid peroxisome proliferator-activated receptor (PPAR) α-selective agonists

  摘要：

  A series of alpha-ethylphenylpropanoic acid derivatives was prepared as candidate peroxisome proliferator-activated receptor (PPAR) alpha-selective agonists, based on our PPAR alpha/delta dual agonist 3 as a lead compound. Structure-activity relationship studies clearly indicated that the steric bulkiness and position of the distal hydrophobic tail part are critical for PPAR alpha agonistic activity and PPAR alpha selectivity, as had been predicted from a molecular-modeling study. A representative compound blocked the progression of nonalcoholic steatohepatitis (NASH) in an animal model. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.03.064

文献信息

• Structure-based design, synthesis, and nonalcoholic steatohepatitis (NASH)-preventive effect of phenylpropanoic acid peroxisome proliferator-activated receptor (PPAR) α-selective agonists
  作者：Shintaro Ban、Jun-ichi Kasuga、Izumi Nakagome、Hiromi Nobusada、Fusako Takayama、Shuichi Hirono、Hiromu Kawasaki、Yuichi Hashimoto、Hiroyuki Miyachi

  DOI：10.1016/j.bmc.2011.03.064

  日期：2011.5

  A series of alpha-ethylphenylpropanoic acid derivatives was prepared as candidate peroxisome proliferator-activated receptor (PPAR) alpha-selective agonists, based on our PPAR alpha/delta dual agonist 3 as a lead compound. Structure-activity relationship studies clearly indicated that the steric bulkiness and position of the distal hydrophobic tail part are critical for PPAR alpha agonistic activity and PPAR alpha selectivity, as had been predicted from a molecular-modeling study. A representative compound blocked the progression of nonalcoholic steatohepatitis (NASH) in an animal model. (C) 2011 Elsevier Ltd. All rights reserved.