6-propyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-pyrimidin-4-one | 864385-69-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 6-propyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-pyrimidin-4-one
• 英文别名: 4-propyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one
• CAS: 864385-69-3
• 化学式: C₂₃H₂₉N₅OS
• 分子量: 423.582
• InChiKey: WACOYZZEUMVOPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  86.1
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Pyrimidine derivatives
  申请人：Sato Michitaka

  公开号：US20070197551A1

  公开（公告）日：2007-08-23

  This invention provides pyrimidine derivatives represented by a formula, in the formula, ring A stands for carbocyclic group or heterocyclic group, X 1 stands for hydrogen, lower alkyl, amino, etc., X 2 stands for hydrogen or lower alkyl, Y stands for a direct bond or sulfur or nitrogen, n stands for an integer of 0-4, and Ar stands for a group of the following formula, or a salt thereof, which concurrently exhibit 5-HT 1A agonistic activity and 5-HT 3 antagonistic activity and are useful for therapy and treatments of diseases such as IBS. The invention furthermore provides a therapeutic method of IBS, characterized by having 5-HT 1A agonistic activity and 5-HT 3 antagonistic activity work simultaneously and cooperatively in vivo, which comprises either administering 5-HT 3 antagonistic agent which concurrently exhibits 5-HT 1A agonistic activity, or administering 5-HT 1A agonistic agent and 5-HT 3 antagonistic agent simultaneously, in sequence or at an interval.

  本发明提供了由下式表示的嘧啶衍生物，其中，环A代表碳环基团或杂环基团，X1代表氢、低碳基、氨基等，X2代表氢或低碳基，Y代表直接键或硫或氮，n代表0-4的整数，Ar代表以下式的基团，或其盐，同时表现出5-HT1A激动活性和5-HT3拮抗活性，并且对治疗诸如肠易激综合征等疾病有用。本发明进一步提供了一种IBS治疗方法，其特征在于在体内同时和协同地发挥5-HT1A激动活性和5-HT3拮抗活性，包括给予同时表现出5-HT1A激动活性和5-HT3拮抗活性的5-HT3拮抗剂，或同时给予5-HT1A激动剂和5-HT3拮抗剂，按顺序或间隔给予。
• PYRIMIDINE DERIVATIVE
  申请人：ASKA Pharmaceutical Co., Ltd.

  公开号：EP1724267A1

  公开（公告）日：2006-11-22

  This invention provides pyrimidine derivatives represented by a formula, in the formula, ring A stands for carbocyclic group or heterocyclic group, X1 stands for hydrogen, lower alkyl, amino, etc., X2 stands for hydrogen or lower alkyl, Y stands for a direct bond or sulfur or nitrogen, n stands for an integer of 0 - 4, and Ar stands for a group of the following formula, or a salt thereof, which concurrently exhibit 5-HT1A agonistic activity and 5-HT3 antagonistic activity and are useful for therapy and treatments of diseases such as IBS. The invention furthermore provides a therapeutic method of IBS, characterized by having 5-HT1A agonistic activity and 5-HT3 antagonistic activity work simultaneously and cooperatively in vivo, which comprises either administering 5-HT3 antagonistic agent which concurrently exhibits 5-HT1A agonistic activity, or administering 5-HT1A agonistic agent and 5-HT3 antagonistic agent simultaneously, in sequence or at an interval.

  本发明提供了由式表示的嘧啶衍生物、 式中 环 A 代表碳环基团或杂环基团、 X1代表氢、低级烷基、氨基等、 X2 代表氢或低级烷基、 Y 代表直接键或硫或氮、 n 代表 0 - 4 的整数，以及 Ar 代表下式中的一个基团、 或其盐，它们同时表现出 5-HT1A 激动活性和 5-HT3 拮抗活性，可用于治疗和治疗肠易激综合征等疾病。 本发明还提供了一种肠易激综合征的治疗方法，其特征在于 5-HT1A 激动活性和 5-HT3 拮抗活性在体内同时协同发挥作用，该方法包括施用同时表现出 5-HT1A 激动活性的 5-HT3 拮抗剂，或者同时、依次或间隔施用 5-HT1A 激动剂和 5-HT3 拮抗剂。