methyl 5-(2,6-diethylphenyl)-1-(1-propylbutyl)-1H-pyrrolo[2,3-c]pyridine-3-carboxylate | 884321-73-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: methyl 5-(2,6-diethylphenyl)-1-(1-propylbutyl)-1H-pyrrolo[2,3-c]pyridine-3-carboxylate
• 英文别名: Methyl 5-(2,6-diethylphenyl)-1-heptan-4-ylpyrrolo[2,3-c]pyridine-3-carboxylate
• CAS: 884321-73-7
• 化学式: C₂₆H₃₄N₂O₂
• 分子量: 406.568
• InChiKey: QXMZTXQSRQGHCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds
  申请人：Yuan Jun

  公开号：US20080267887A1

  公开（公告）日：2008-10-30

  Pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds analogues of the formula: wherein R, R 2 , R 5 , E, Z 1 , Z 3 , Z 4 , and Ar are defined herein. Such compounds are ligands of C5a receptors. Preferred pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds of the invention 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 pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds, which are useful as probes for the localization of C5a receptors.

  吡咯吡啶、吡咯嘧啶和相关杂环化合物的类似物的公式如下： 其中R，R2，R5，E，Z1，Z3，Z4和Ar在此定义。这些化合物是C5a受体的配体。本发明所述的优选吡咯吡啶、吡咯嘧啶和相关杂环化合物以高亲和力结合到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。本发明还涉及包含这些化合物的药物组合物，并且涉及使用这些化合物治疗各种炎症、心血管和免疫系统疾病。此外，本发明提供了标记的吡咯吡啶、吡咯嘧啶和相关杂环化合物，这些化合物可用作C5a受体的定位探针。
• PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS
  申请人：Yuan Jun

  公开号：US20110118273A1

  公开（公告）日：2011-05-19

  Pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds analogues of the formula: wherein R, R 2 , R 5 , E, Z 1 , Z 3 , Z 4 , and Ar are defined herein. Such compounds are ligands of C5a receptors. Preferred pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds of the invention 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 pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds, which are useful as probes for the localization of C5a receptors.

  吡咯并吡啶、吡咯并嘧啶和相关杂环化合物的类似物的公式为：其中R、R2、R5、E、Z1、Z3、Z4和Ar的定义如下。这些化合物是C5a受体的配体。本发明所述的优选吡咯并吡啶、吡咯并嘧啶和相关杂环化合物以高亲和力结合到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。本发明还涉及包含这些化合物的制药组合物，以及使用这些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吡咯并吡啶、吡咯并嘧啶和相关杂环化合物，这些化合物可用作C5a受体的定位探针。
• US7906528B2
  申请人：——

  公开号：US7906528B2

  公开（公告）日：2011-03-15
• US8633193B2
  申请人：——

  公开号：US8633193B2

  公开（公告）日：2014-01-21