3-<4-(1H-imidazol-1-yl)benzoyl>-7-isopropyl-3,7-diazabicyclo<3.3.1>nonane

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-<4-(1H-imidazol-1-yl)benzoyl>-7-isopropyl-3,7-diazabicyclo<3.3.1>nonane
• 英文别名: 3-[4-(1H-Imidazol-1-yl)benzoyl]-7-isopropyl-3,7-diazabicyclo[3.3.1]nonane；(4-Imidazol-1-ylphenyl)-(7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
• 化学式: C₂₀H₂₆N₄O
• 分子量: 338.453
• InChiKey: BKXNECYZQMFRLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  41.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-Isopropyl-3,7-diazabicyclo[3.3.1]nonane 在 sodium hydroxide 、 18-冠醚-6 、 potassium carbonate 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 48.0h， 生成 3-<4-(1H-imidazol-1-yl)benzoyl>-7-isopropyl-3,7-diazabicyclo<3.3.1>nonane
  参考文献：
  名称：

  Novel 3,7-Diheterabicyclo[3.3.1]nonanes That Possess Predominant Class III Antiarrhythmic Activity in 1-4 Day Post Infarction Dog Models:  X-ray Diffraction Analysis of 3-[4-(1H-Imidazol-1-yl)benzoyl]-7-isopropyl-3,7-diazabicyclo[3.3.1]nonane Dihydroperchlorate

  摘要：

  Several 3,7-diheterabicyclo[3.3.1]nonanes (DHBCNs) were prepared and screened in the Harris dog model for their ability to abolish pace-induced and sustained ventricular tachycardia (SVT) or prevent induction of ventricular tachycardia. In addition, an electrophysiological examination was made in the infarcted hearts of each animal to determine if more than one class activity was present. The examples exhibited predominately class III antiarrhythmic activity via a prolongation of the ventricular effective refractory period (VERP) in the models, although there may well be an underlying class Ib action present as exemplified by the ability of several of the agents to slow conduction in the myocardial infarcted dog hearts. 3-[4-(1H-Imidazol-1-yl)benzoyl]-7-isopropyl-3,7-diazabicyclo[3.3.1]nonane dihydroperchlorate displayed powerful class III activity in the model systems while several other DHBCNs exhibited various degrees of class III action. An X-ray diffraction analysis revealed that this compound has a 3,7-diazabicyclo[3.3.1]nonane bicyclic unit in a chair-chair conformation.

  DOI：

  10.1021/jm950772j

文献信息

• Bispidine compounds useful in the treatment of cardiac arrythmias
  申请人：AstraZeneca AB

  公开号：US20040229900A1

  公开（公告）日：2004-11-18

  There is provided compounds of formula I, 1 wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 41 , R 42 , R 43 R 44 , R 45 , R 46 , A and B have meanings given in the description, which are useful in the prophylaxis and in the treatment of arrhythmias, in particular atrial and ventricular arrhythmias.

  提供了一种化合物I的公式，其中R1、R2、R3、R4、R5、R6、R7、R41、R42、R43、R44、R45、R46、A和B在描述中给出了含义，这些化合物在预防和治疗心律不齐方面特别是房性和室性心律不齐方面是有用的。
• New bispidine compounds and their use in the treatment of cardiac arrhythmias
  申请人：——

  公开号：US20030212095A1

  公开（公告）日：2003-11-13

  There is provided compounds of formula (I), wherein R 1 , R 2 , R 3a , R 3b and R 41 to R 46 have meanings given in the description, which are useful in the prophylaxis and in the treatment of arrhythmias, in particular atrial and ventricular arrhythmias. 1

  提供了化合物的结构式(I)，其中R1、R2、R3a、R3b和R41至R46的含义如描述中所示，这些化合物在预防和治疗心律失常方面具有用途，特别是房性和室性心律失常。
• N-alkyl and n-acyl derivatives of 3,7-diazabicyclo-[3.3.1]nonanes and
  申请人：The Board of Regents of Oklahoma State University Physical Sciences

  公开号：US05468858A1

  公开（公告）日：1995-11-21

  3,7-Diazabicyclo[3.3.1]nonanes and selected derivatives thereof of the general formula: ##STR1## are disclosed as multiclass antiarrhythmic agents.

  3,7-二氮杂双环[3.3.1]壬烷及其选择性衍生物的一般公式如下：##STR1## 被披露为多类抗心律失常药物。
• New bispidine compounds useful in the treatment of cardiac arrhythmias
  申请人：Bjorsne Magnus

  公开号：US20050004113A1

  公开（公告）日：2005-01-06

  There is provided compounds of formula I, wherein R 1 , R 2 , R 3 , R 4 , R 5a , R 5b , R 5c , R 5d , R 5e , R 5f , R 6 , X, A, B and D have meanings given in the description, which are useful in the prophylaxis and in the treatment of arrhythmias, in particular atrial and ventricular arrhythmias.

  提供了式I的化合物，其中R1、R2、R3、R4、R5a、R5b、R5c、R5d、R5e、R5f、R6、X、A、B和D的含义如描述中所述，这些化合物在预防和治疗心律失常方面有用，特别是房性和室性心律失常。
• BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS
  申请人：AstraZeneca AB

  公开号：EP1192154B1

  公开（公告）日：2004-03-17