1-ethyl-3,3,5-trimethyl-7-{3-[(2-pyridin-3-ylethyl)pyridin-4-ylmethylamino]propoxy}-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione | 1184654-44-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 1-ethyl-3,3,5-trimethyl-7-{3-[(2-pyridin-3-ylethyl)pyridin-4-ylmethylamino]propoxy}-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione
• 英文别名: 1-ethyl-3,3,5-trimethyl-7-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]-1,5-benzodiazepine-2,4-dione
• CAS: 1184654-44-1
• 化学式: C₃₀H₃₇N₅O₃
• 分子量: 515.655
• InChiKey: QEXPFDNRGMLZPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-ethyl-7-(3-iodopropoxy)-3,3,5-trimethyl-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione 在 溶剂黄146 作用下， 以 甲醇 、 1,2-二氯乙烷 为溶剂， 反应 9.5h， 生成 1-ethyl-3,3,5-trimethyl-7-{3-[(2-pyridin-3-ylethyl)pyridin-4-ylmethylamino]propoxy}-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione
  参考文献：
  名称：

  [EN] BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION
  [FR] COMPOSÉ DE BENZODIAZÉPINE ET COMPOSITION PHARMACEUTIQUE

  摘要：

  本发明提供了一种新型苯二氮卓类化合物，其比其他K+通道更有效地和更选择性地阻断IKur电流或Kv1.5通道或IKACH电流（GIRK1/4通道）。本发明的苯二氮卓类化合物由通用公式（1）表示，其中R1、R2、R3和R4分别独立地为氢或较低的烷基；R2和R3可以连接形成较低的烷基链；A1是较低的烷基链，可选择地取代一个或多个羟基；而R5是一个由所表示的基团，其中R6和R7分别独立地为氢或有机基团；XA和XB分别独立地为键合、较低的烷基链等。

  公开号：

  WO2009104819A1

文献信息

• BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION
  申请人：Oshima Kunio

  公开号：US20130040941A1

  公开（公告）日：2013-02-14

  The present invention provides a novel benzodiazepine compound that blocks the I Kur current or the Kv1.5 channel potently and more selectively than other K + channels. The benzodiazepine compound of the invention is represented by General Formula (1) wherein R 1 , R 2 , R 3 , and R 4 are each independently hydrogen or 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 hydroxy; and R 5 is group represented by wherein R 6 and R 7 are each independently hydrogen or organic group; X A and X B are each independently bond, lower alkylene, etc.

  本发明提供了一种新型苯二氮平化合物，能够有效地阻断IKur电流或Kv1.5通道，比其他K+通道更具选择性。本发明的苯二氮平化合物由通式（1）表示，其中R1、R2、R3和R4各自独立地为氢或低碳基；R2和R3可以连接形成低碳链；A1为低碳链，可选地取代一个或多个羟基；R5为由下式表示的基团：其中R6和R7各自独立地为氢或有机基团；XA和XB各自独立地为键，低碳链等。
• Benzodiazepine compound and pharmaceutical composition
  申请人：Oshima Kunio

  公开号：US08664217B2

  公开（公告）日：2014-03-04

  The present invention provides a novel benzodiazepine compound that blocks the IKur current or the Kv1.5 channel potently and more selectively than other K+ channels. The benzodiazepine compound of the invention is represented by General Formula (1) wherein R1, R2, R3, and R4 are each independently hydrogen or lower alkyl; R2 and R3 may be linked to form lower alkylene; Al is lower alkylene optionally substituted with one or more hydroxy; and R5 is group represented by wherein R6 and R7 are each independently hydrogen or organic group; XA and XB are each independently bond, lower alkylene, etc.

  本发明提供了一种新型苯二氮平化合物，能够有效地选择性地阻断IKur电流或Kv1.5通道，比其他K+通道更具选择性。本发明的苯二氮平化合物由通式（1）表示，其中R1、R2、R3和R4各自独立地代表氢或较低的烷基；R2和R3可以连接形成较低的烷基；Al代表较低的烷基，可选地取代一个或多个羟基；R5代表下列基团：其中R6和R7各自独立地代表氢或有机基团；XA和XB各自独立地代表键、较低的烷基等。
• US8338406B2
  申请人：——

  公开号：US8338406B2

  公开（公告）日：2012-12-25
• US8664217B2
  申请人：——

  公开号：US8664217B2

  公开（公告）日：2014-03-04
• [EN] BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION<br/>[FR] COMPOSÉ DE BENZODIAZÉPINE ET COMPOSITION PHARMACEUTIQUE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2009104819A1

  公开（公告）日：2009-08-27

  The present invention provides a novel benzodiazepine compound that blocks the IKur current or the Kv1.5 channel or the IKACH current (the GIRK1/4 channel) potently and more selectively than other K+ channels. The benzodiazepine compound of the invention is represented by General Formula (1) wherein R1, R2, R3, and R4 are each independently hydrogen or lower alkyl; R2 and R3 may be linked to form lower alkylene; A1 is lower alkylene optionally substituted with one or more hydroxy; and R5 is group represented by wherein R6 and R7 are each independently hydrogen or organic group; XA and XB are each independently bond, lower alkylene, etc.

  本发明提供了一种新型苯二氮卓类化合物，其比其他K+通道更有效地和更选择性地阻断IKur电流或Kv1.5通道或IKACH电流（GIRK1/4通道）。本发明的苯二氮卓类化合物由通用公式（1）表示，其中R1、R2、R3和R4分别独立地为氢或较低的烷基；R2和R3可以连接形成较低的烷基链；A1是较低的烷基链，可选择地取代一个或多个羟基；而R5是一个由所表示的基团，其中R6和R7分别独立地为氢或有机基团；XA和XB分别独立地为键合、较低的烷基链等。