Methyl 5-[4-(acetylamino)benzoyl]-1-methyl-1H-pyrrole-2-acetate | 179384-48-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl 5-[4-(acetylamino)benzoyl]-1-methyl-1H-pyrrole-2-acetate
• 英文别名: methyl 2-[5-(4-acetamidobenzoyl)-1-methylpyrrol-2-yl]acetate
• CAS: 179384-48-6
• 化学式: C₁₇H₁₈N₂O₄
• 分子量: 314.341
• InChiKey: LJIWSNJQSUTXPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  77.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 5-[4-(acetylamino)benzoyl]-1-methyl-1H-pyrrole-2-acetate 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 5-(p-Acetaminobenzoyl)-1-methylpyrrole-2-acetic acid
  参考文献：
  名称：

  Synthesis and structure–Activity relationships of aroylpyrrole alkylamide bradykinin (B2) antagonists

  摘要：

  The synthesis and structure-activity relationships of a novel series of aroylpyrrole alkylamindes as potent selective bradykinin 132 receptor antagonists are described. Several members of this series display nanomolar affinity at the B-2 receptor and show activity in an animal model of antinociception. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00104-5
• 作为产物：
  描述：

  1-甲基-2-吡咯乙酸甲酯 、 4-乙酰胺基苯甲酰氯 以 甲苯 为溶剂， 生成 Methyl 5-[4-(acetylamino)benzoyl]-1-methyl-1H-pyrrole-2-acetate
  参考文献：
  名称：

  Synthesis and structure–Activity relationships of aroylpyrrole alkylamide bradykinin (B2) antagonists

  摘要：

  The synthesis and structure-activity relationships of a novel series of aroylpyrrole alkylamindes as potent selective bradykinin 132 receptor antagonists are described. Several members of this series display nanomolar affinity at the B-2 receptor and show activity in an animal model of antinociception. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00104-5

文献信息

• Pyrrole derivatives
  申请人：F. Hoffmann-La Roche AG

  公开号：EP0714895A1

  公开（公告）日：1996-06-05

  Pyrrole derivatives are described. These compounds are useful as anti-inflammatory agents in the treatment of inflammation and pain. The preparation of these compounds, their pharmaceutically acceptable salts, and pharmaceutical compositions containing these compounds, is also described.

  介绍了吡咯衍生物。这些化合物可用作治疗炎症和疼痛的消炎剂。此外，还介绍了这些化合物、其药学上可接受的盐类以及含有这些化合物的药物组合物的制备方法。