2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-cyano-3,3-diphenylpropionic acid | 1314863-85-8

• 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: 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-cyano-3,3-diphenylpropionic acid
• 英文别名: 3-Cyano-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid
• CAS: 1314863-85-8
• 化学式: C₂₂H₁₉N₃O₃
• 分子量: 373.411
• InChiKey: GNOYURORCNYORB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  96.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-cyano-3,3-diphenylpropionic acid ethyl ester 在 水 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-cyano-3,3-diphenylpropionic 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.