(1S,4S)-tert-butyl 5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate | 274681-10-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (1S,4S)-tert-butyl 5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
• 英文别名: 1,1-dimethylethyl (1S)-2-(6-phenyl-3-pyridazinyl)-2,5-diazabicyclo[2.2.1]heptane-5-carboxylate；tert-butyl (S,S)-5-(6-phenyl-pyridazin-3-yl)-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylate；t-Butyl (S,S)-5-(6-Phenyl-pyridazin-3-yl)-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylate；t-butyl (S,S)-5-(6-phenyl-pyridazin-3-yl)-2,5-diazabicyclo [2.2.1]heptane-2-carboxylate；t-butyl (S,S)-5-(6-phenyl-pyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate；t-butyl (S,S)-5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate；t-Butyl(S,S)-5-(6-Phenyl-pyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate；tert-butyl (1S,4S)-5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
• CAS: 274681-10-6
• 化学式: C₂₀H₂₄N₄O₂
• 分子量: 352.436
• InChiKey: HJLDUAKTKQUCOL-HOTGVXAUSA-N

物化性质

• 沸点：
  557.9±50.0 °C(Predicted)
• 密度：
  1.213±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  58.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1S,4S)-tert-butyl 5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate 在 聚合甲醛 作用下， 以 甲酸 为溶剂， 反应 1.0h， 以96%的产率得到(1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
  参考文献：
  名称：

  FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES

  摘要：

  该发明涉及融合的双环杂环烃基取代的氮杂双环戊烷衍生物，包括此类化合物的组合物，以及使用这些化合物和组合物治疗病症和疾病的方法。

  公开号：

  US20080045539A1
• 作为产物：
  描述：

  (1S,4S)-2-Boc-2,5-二氮双环[2.2.1]庚烷 在 四(三苯基膦)钯 、 sodium carbonate 、 N,N-二异丙基乙胺 作用下， 以 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 32.0h， 生成 (1S,4S)-tert-butyl 5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
  参考文献：
  名称：

  Structure–activity relationship studies of SEN12333 analogues: Determination of the optimal requirements for binding affinities at α7 nAChRs through incorporation of known structural motifs

  摘要：

  Alpha7 nicotinic acetylcholine receptors (nAChRs) have implications in the regulation of cognitive processes such as memory and attention and have been identified as a promising therapeutic target for the treatment of the cognitive deficits associated with schizophrenia and Alzheimer's disease (AD). Structure affinity relationship studies of the previously described alpha 7 agonist SEN12333 (8), have resulted in the identification of compound 45, a potent and selective agonist of the alpha 7 nAChR with enhanced affinity and improved physicochemical properties over the parent compound (SEN12333, 8). (C) 2015 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2015.03.025

文献信息

• DIAZAHOMOADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF
  申请人：Schrimpf Michael R.

  公开号：US20100324027A1

  公开（公告）日：2010-12-23

  The invention relates to compounds that are diazahomoadamantane derivatives, compositions comprising such compounds, and methods of using such compounds and compositions.

  该发明涉及一种二氮杂同戊二烷衍生物，包括该类化合物的组合物，以及使用该类化合物和组合物的方法。
• 2,5,-diazabicyclo[2.2.1]heptane derivatives, their preparation and therapeutic uses
  申请人：Sanofi-Synthelabo

  公开号：US06635645B1

  公开（公告）日：2003-10-21

  The invention relates to 2,5-diazabicyclo[2.2.1]heptane derivatives, to pharmaceutical compositions containing them, and to methods for the treatment or prevention of disorders associated with a dysfunction of the nicotinic receptors utilizing them.

  这项发明涉及2,5-二氮杂双环[2.2.1]庚烷衍生物，含有它们的药物组合物，以及利用它们治疗或预防与尼古丁受体功能障碍相关的疾病的方法。
• [EN] BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY MODULATORS<br/>[FR] DÉRIVÉS D'ALCANE AZABICYCLIQUE À SUBSTITUTION BIARYLE EN TANT QUE MODULATEURS DE L'ACTIVITÉ DU RÉCEPTEUR NICOTINIQUE DE L'ACÉTYLCHOLINE
  申请人：ABBOTT LAB

  公开号：WO2009067579A1

  公开（公告）日：2009-05-28

  The invention relates to biaryl substituted azabicyclic alkane derivatives, compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  这项发明涉及取代的双芳基氮杂环戊烷衍生物，包括这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。
• [EN] BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES<br/>[FR] DÉRIVÉS DE DIAZABICYCLOALCANE À SUBSTITUTION BIARYLE
  申请人：ABBOTT LAB

  公开号：WO2009067586A1

  公开（公告）日：2009-05-28

  The invention relates biaryl substituted diazabicycloalkanes of foraula (I), and more particularly bicycloheteroaryl substituted fused diazabicycloalkane derivatives, compositions comprising such compounds, and such compounds for use for treating or preventing conditions and disorders related to both

  该发明涉及取代的双芳基二氮杂双环戊烷的富劳拉(I)，更具体地涉及取代的双环杂芳基融合二氮杂双环戊烷衍生物，包含这种化合物的组合物，以及这些化合物用于治疗或预防与α7和α4β2 nAChR活性相关的病症和紊乱。公式：(I)。
• SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE
  申请人：Ji Jianguo

  公开号：US20080153860A1

  公开（公告）日：2008-06-26

  The invention relates to compounds that are spirocyclic azaadamantane derivatives derivatives, particularly spirocyclic azaadamantanyl ether or amine derivatives, compositions comprising such compounds, methods of using such compounds and compositions, processes for preparing such compounds, and intermediates obtained during such processes.

  这项发明涉及螺环状氮杂金刚烷衍生物，特别是螺环状氮杂金刚烷基醚或胺衍生物，包括这些化合物的组合物，使用这些化合物和组合物的方法，制备这些化合物的过程，以及在这些过程中获得的中间体。