3-Isopropyl-3,7-diazabicyclo[3.3.1]nonane | 129039-76-5

• 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-Isopropyl-3,7-diazabicyclo[3.3.1]nonane
• 英文别名: 3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane
• CAS: 129039-76-5
• 化学式: C₁₀H₂₀N₂
• 分子量: 168.282
• InChiKey: MGLHZAPOUJJKCP-UHFFFAOYSA-N

物化性质

• 沸点：
  234.3±8.0 °C(predicted)
• 密度：
  0.935±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Isopropyl-3,7-diazabicyclo[3.3.1]nonane 在 吡啶 、 盐酸 、 sodium hydroxide 、 titanium(III) chloride 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 3.12h， 生成 N-[4-(7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)phenyl]methanesulfonamide
  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
• 作为产物：
  描述：

  3-isopropyl-7-benzyl-3,7-diazabicyclo-[3.3.1]nonane 、 sodium hydroxide 在 钯 氮气 、 二氯甲烷 作用下， 以 甲醇 、 水 为溶剂， 25.0 ℃ 、3.55 kPa 条件下， 反应 0.67h， 以vacuum pump, 10 min, RT/0.2 mm Hg) to give amine (31) as a light oil (3.35 g, 93.0%) which的产率得到3-Isopropyl-3,7-diazabicyclo[3.3.1]nonane
  参考文献：
  名称：

  Salts of 3-azabicyclo[3.3.1]nonanes as antiarrhythmic agents, and

  摘要：

  3-azabicyclo[3.3.1]非烷盐用于控制抗心律失常过程，并公开其前体。

  公开号：

  US05110933A1

文献信息

• Salts of 3-azabicyclo [3.3.1]nonanes as antiarrhythmic agents, and
  申请人：Board of Regents of Oklahoma State University

  公开号：US05084572A1

  公开（公告）日：1992-01-28

  Salts of 3-azabicyclo[3.3.1]nonanes are used in controlling antiarrhythmic processes and precursors thereof are disclosed.

  3-氮杂双环[3.3.1]辛烷盐被用于控制抗心律失常过程，并公开了其前体。
• 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。
• N-alkyl and N-acyl derivatives of 3,7-Diazabicyclo-\x9b3.3.1!nonanes and
  申请人：The Board of Regents, Oklahoma State University

  公开号：US05786481A1

  公开（公告）日：1998-07-28

  3,7-Diazabicyclo\x9b3.3!nonanes and selected derivatives thereof of the general formula: ##STR1## wherein Q=S; Z=CH.sub.2 ; and Y equals an N-acyl or N-alkyl group are disclosed as multiclass antiarrhythmic agents.

  本文披露了3,7-二氮杂双环[3.3.0]庚烷及其选定衍生物的一般式：##STR1## 其中Q=S; Z=CH.sub.2 ; 且Y等于N-酰基或N-烷基基团，作为多类抗心律失常药物。
• HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS
  申请人：AQUINO Christopher Joseph

  公开号：US20090053172A1

  公开（公告）日：2009-02-26

  The present invention relates to compounds of formula (I), or pharmaceutically acceptable derivatives thereof, useful in the treatment of CCR5-related diseases and disorders, for example, useful in the inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS).

  本发明涉及式(I)化合物或其药学上可接受的衍生物，用于治疗CCR5相关的疾病和障碍，例如，用于抑制HIV复制，预防或治疗HIV感染，并用于治疗由此导致的获得性免疫缺陷综合症（AIDS）。
• Inhibitors of lysine specific demethylase-1
  申请人：CELGENE QUANTICEL RESEARCH, INC.

  公开号：US10385051B2

  公开（公告）日：2019-08-20

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted heterocyclic derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition of lysine specific demethylase-1. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本发明一般涉及治疗癌症和肿瘤性疾病的组合物和方法。本发明提供了取代的杂环衍生物化合物和包含所述化合物的药物组合物。所述化合物和组合物可用于抑制赖氨酸特异性去甲基化酶-1。此外，所述化合物和组合物还可用于治疗癌症，如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等。