7-((N-(2,5-dimethyl-2H-pyrazol-3-ylmethyl)-N-(2-(4-methyl-7-oxo-7H-thieno[2,3-c]pyridin-6-yl)ethyl)amino)methyl)-1-ethyl-3,3,5-trimethyl-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione | 1266560-60-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 7-((N-(2,5-dimethyl-2H-pyrazol-3-ylmethyl)-N-(2-(4-methyl-7-oxo-7H-thieno[2,3-c]pyridin-6-yl)ethyl)amino)methyl)-1-ethyl-3,3,5-trimethyl-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione
• 英文别名: 7-[[(2,5-Dimethylpyrazol-3-yl)methyl-[2-(4-methyl-7-oxothieno[2,3-c]pyridin-6-yl)ethyl]amino]methyl]-1-ethyl-3,3,5-trimethyl-1,5-benzodiazepine-2,4-dione
• CAS: 1266560-60-4
• 化学式: C₃₁H₃₈N₆O₃S
• 分子量: 574.747
• InChiKey: VXMRHQRKFABPFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  41
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION
  申请人：Oshima Kunio

  公开号：US20120225866A1

  公开（公告）日：2012-09-06

  The present invention provides a novel diazepine compound that blocks the I Kur current or the Kv1.5 channel potently and more selectively than other K + channels. The present invention relates to a diazepine compound represented by General Formula (1) or a salt thereof, wherein R 1 , R 2 , R 3 , and R 4 are each independently hydrogen, lower alkyl, cyclo lower alkyl or lower alkoxy lower alkyl; R 2 and R 3 may be linked to form lower alkylene; A 1 is lower alkylene optionally substituted with one or more substituents selected from the group consisting of hydroxyl and oxo; Y 1 and Y 2 are each independently —N═ or —CH═; and R 5 is group represented by wherein R 6 and R 7 are each independently hydrogen or organic group; R 6 and R 7 may be linked to form a ring together with the neighboring group —X A —N—X B —; X A and X B are each independently a bond, lower alkylene, etc.

  本发明提供了一种新型的二氮杂环化合物，它可以有效地阻断IKur电流或Kv1.5通道，并比其他K+通道更具选择性。本发明涉及一种由通式（1）表示的二氮杂环化合物或其盐，其中R1、R2、R3和R4各自独立地表示氢、低碳基、环状低碳基或低烷氧基低碳基；R2和R3可以连接形成低碳烷基；A1是低碳烷基，可选地取代一个或多个羟基和氧代基；Y1和Y2各自独立地表示—N═或—CH═；R5是由下式表示的基：其中R6和R7各自独立地表示氢或有机基团；R6和R7可以与相邻的基团—XA—N—XB—一起形成环；XA和XB各自独立地表示键、低碳烷基等。
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