3-{[2-(2,6-diethylphenyl)-5-(dipropylamino)-6-methylpyrimidin-4-yl]oxy}-2,2-dimethylpropanoic acid | 869887-68-3

• 分子结构分类: 有机化合物
• 英文名称: 3-{[2-(2,6-diethylphenyl)-5-(dipropylamino)-6-methylpyrimidin-4-yl]oxy}-2,2-dimethylpropanoic acid
• 英文别名: 3-[2-(2,6-Diethylphenyl)-5-(dipropylamino)-6-methylpyrimidin-4-yl]oxy-2,2-dimethylpropanoic acid
• CAS: 869887-68-3
• 化学式: C₂₆H₃₉N₃O₃
• 分子量: 441.614
• InChiKey: CISMGABMXWQDEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  32
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  75.6
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• 4,5-Disubstituted-2-aryl pyrimidines
  申请人：Maynard D. George

  公开号：US20050277654A1

  公开（公告）日：2005-12-15

  4,5-disubstituted-2-arylpyrimidines of Formula I and Formula II are provided: wherein R 1 , R 2 , R 3 , R 8 , R 9 , A and Ar are defined herein. Such compounds are ligands of C5a receptors. Preferred compounds of Formula I and II bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptors. The present invention also relates to pharmaceutical compositions comprising such compounds, and to the use of such compounds in treating a variety of inflammatory, cardiovascular, and immune system disorders. In addition, the present invention provides labeled 4,5-disubstituted-2-arylpyrimidines, which are useful as probes for the localization of C5a receptors.

  提供公式I和公式II的4,5-二取代-2-芳基嘧啶，其中R1、R2、R3、R8、R9、A和Ar在此定义。这些化合物是C5a受体的配体。公式I和II的优选化合物具有高亲和力结合C5a受体，并在C5a受体上表现出中性拮抗剂或反向激动剂活性。本发明还涉及包含此类化合物的制药组合物，以及使用此类化合物治疗各种炎症、心血管和免疫系统疾病的用途。此外，本发明提供了标记的4,5-二取代-2-芳基嘧啶，用于定位C5a受体。
• US7482350B2
  申请人：——

  公开号：US7482350B2

  公开（公告）日：2009-01-27
• US8129395B2
  申请人：——

  公开号：US8129395B2

  公开（公告）日：2012-03-06