2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3,3,4-triphenyl butyric acid | 1314863-86-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3,3,4-triphenyl butyric acid
• 英文别名: 2-(4,6-Dimethylpyrimidin-2-yl)oxy-3,3,4-triphenylbutanoic acid
• CAS: 1314863-86-9
• 化学式: C₂₈H₂₆N₂O₃
• 分子量: 438.526
• InChiKey: MPUTZYHOOVSIKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  72.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  benzyl 2,2,3-triphenylpropanoate 在 lithium aluminium tetrahydride 、 硫酸 、 potassium carbonate 、 sodium hydrogensulfite 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.5h， 生成 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3,3,4-triphenyl butyric acid
  参考文献：
  名称：

  Synthesis and in vitro evaluation of ambrisentan analogues as potential endothelin receptor antagonists

  摘要：

  A series of novel 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3,3-diphenyl butyric acid derivatives were synthesized and evaluated for their antagonistic activity for endothelin-1-induced contraction in rabbit aorta. Within this series of compounds, 2-[(4,6-dimethylpyrimidin-2-yl) oxy]-3-cyano-3,3-diphenylpropionic acid (4) displays comparable potency with ambrisentan (1), and warrants further investigation. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.034

文献信息

• Synthesis and in vitro evaluation of ambrisentan analogues as potential endothelin receptor antagonists
  作者：Jun Xia、Jianfei Song、Le Zhen、Xiuling Zhang、Xiantao Lei、Lina Zheng、Qiujuan Wang、Hongbin Sun

  DOI：10.1016/j.bmcl.2011.05.034

  日期：2011.7

  A series of novel 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3,3-diphenyl butyric acid derivatives were synthesized and evaluated for their antagonistic activity for endothelin-1-induced contraction in rabbit aorta. Within this series of compounds, 2-[(4,6-dimethylpyrimidin-2-yl) oxy]-3-cyano-3,3-diphenylpropionic acid (4) displays comparable potency with ambrisentan (1), and warrants further investigation. (C) 2011 Elsevier Ltd. All rights reserved.