benzyl 5-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-1-[2-(4-fluorophenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxylate | 947400-38-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: benzyl 5-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-1-[2-(4-fluorophenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxylate
• 英文别名: benzyl 5-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-[2-(4-fluorophenyl)ethyl]-2-methylpyrrole-3-carboxylate
• CAS: 947400-38-6
• 化学式: C₃₂H₂₉FN₂O₄
• 分子量: 524.592
• InChiKey: XMHOUWFSSQRSFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  39
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  68.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzyl 5-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-1-[2-(4-fluorophenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxylate 在 氯仿 、 silica gel 、 乙酸乙酯 作用下， 以 乙醇 、 四氢呋喃 、 一水合肼 为溶剂， 反应 49.0h， 以to obtain 850 mg of benzyl 5-(3-aminopropyl)-1-[2-(4-fluorophenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxylate as a colorless oil的产率得到benzyl 5-(3-aminopropyl)-1-[2-(4-fluorophenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxylate
  参考文献：
  名称：

  Pyrrole Derivative or Salt Thereof

  摘要：

  [问题] 提供一种可用于预防和/或治疗与5-HT2B受体和5-HT7受体有关的疾病，特别是治疗肠易激综合征（IBS）的化合物。 [解决方案] 发现一种吡咯衍生物，在其3位具有胍基甲酰基基团或酰胺基团作为取代基团，或其药学上可接受的盐，具有对5-HT2B受体和5-HT7受体的强拮抗作用。此外，与仅使用对其中一种受体选择性拮抗剂相比，具有对两种受体拮抗活性的本发明化合物显示出良好的药理作用。基于上述，本发明化合物对于预防和/或治疗与5-HT2B受体和5-HT7受体有关的疾病，特别是治疗肠易激综合征（IBS）是有用的。

  公开号：

  US20090036421A1

文献信息

• Pyrrole Derivative or Salt Thereof
  申请人：Seo Ryushi

  公开号：US20090036421A1

  公开（公告）日：2009-02-05

  [Problem] To provide a compound which may be used for the prevention and/or treatment of diseases in which 5-HT 2B receptor and 5-HT 7 receptor are concerned, particularly for the treatment of irritable bowel syndrome (IBS). [Means for Resolution] It was found that a pyrrole derivative characterized by the possession of a guanidinocarbonyl group or amido group as a substituent group at the 3-position, or a pharmaceutically acceptable salt thereof, has a strong antagonism for both of the 5-HT 2B receptor and 5-HT 7 receptor. In addition, the compound of the present invention having the antagonistic activity for both of the receptors showed a good pharmacological action in comparison with the case in which an antagonist selective for either one of the receptors was used alone. Based on the above, the compound of the present invention is useful for the prevention and/or treatment of diseases in which 5-HT 2B receptor and 5-HT 7 receptor are concerned, particularly for the treatment of irritable bowel syndrome (IBS).

  [问题] 提供一种可用于预防和/或治疗与5-HT2B受体和5-HT7受体有关的疾病，特别是治疗肠易激综合征（IBS）的化合物。 [解决方案] 发现一种吡咯衍生物，在其3位具有胍基甲酰基基团或酰胺基团作为取代基团，或其药学上可接受的盐，具有对5-HT2B受体和5-HT7受体的强拮抗作用。此外，与仅使用对其中一种受体选择性拮抗剂相比，具有对两种受体拮抗活性的本发明化合物显示出良好的药理作用。基于上述，本发明化合物对于预防和/或治疗与5-HT2B受体和5-HT7受体有关的疾病，特别是治疗肠易激综合征（IBS）是有用的。
• PYRROLE DERIVATIVE OR SALT THEREOF
  申请人：Astellas Pharma Inc.

  公开号：EP1988075B1

  公开（公告）日：2012-01-25
• US8222274B2
  申请人：——

  公开号：US8222274B2

  公开（公告）日：2012-07-17
• Pyrrole derivative or salt thereof
  申请人：Astellas Pharma Inc.

  公开号：US08222274B2

  公开（公告）日：2012-07-17

  [Problem] To provide a compound which may be used for the prevention and/or treatment of diseases in which 5-HT2B receptor and 5-HT7 receptor are concerned, particularly for the treatment of irritable bowel syndrome (IBS). [Means for Resolution] It was found that a pyrrole derivative characterized by the possession of a guanidinocarbonyl group or amido group as a substituent group at the 3-position, or a pharmaceutically acceptable salt thereof, has a strong antagonism for both of the 5-HT2B receptor and 5-HT7 receptor. In addition, the compound of the present invention having the antagonistic activity for both of the receptors showed a good pharmacological action in comparison with the case in which an antagonist selective for either one of the receptors was used alone. Based on the above, the compound of the present invention is useful for the prevention and/or treatment of diseases in which 5-HT2B receptor and 5-HT7 receptor are concerned, particularly for the treatment of irritable bowel syndrome (IBS).

  [问题] 提供一种化合物，可用于预防和/或治疗与5-HT2B受体和5-HT7受体有关的疾病，特别是治疗肠易激综合征（IBS）。 [解决方法] 发现一种吡咯衍生物，其在3位具有胍基羰基基团或酰胺基团作为取代基团，或其药学上可接受的盐，具有对5-HT2B受体和5-HT7受体的强烈拮抗作用。此外，本发明的化合物具有对两种受体的拮抗活性，与仅使用选择性拮抗剂的情况相比，表现出良好的药理作用。基于以上，本发明的化合物对于预防和/或治疗与5-HT2B受体和5-HT7受体有关的疾病，特别是治疗肠易激综合征（IBS）非常有用。