A-585539 | 1007306-19-5

• 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: A-585539
• 英文别名: (1S,4S)-2,2-dimethyl-5-(6-phenylpyridazin-3-yl)-5-aza-2-azoniabicyclo[2.2.1]heptane iodide；(1S,4S)-2,2-dimethyl-5-(6-phenylpyridazin-3-yl)-5-aza-2-azoniabicyclo[2.2.1]heptane;iodide
• CAS: 1007306-19-5
• 化学式: C₁₇H₂₁N₄*I
• 分子量: 408.285
• InChiKey: FHDXZGSLWZLETO-YYLIZZNMSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.82
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  29
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane 、 碘甲烷 以 二氯甲烷 为溶剂， 以80%的产率得到A-585539
  参考文献：
  名称：

  Syntheses and structure–activity relationship (SAR) studies of 2,5-diazabicyclo[2.2.1]heptanes as novel α7 neuronal nicotinic receptor (NNR) ligands

  摘要：

  Biaryl substituted 2,5-diazabicyclo[2.2.1]heptanes have been synthesized and tested for their affinity toward alpha 7 neuronal nicotinic receptors (NNRs). SAR studies established that 5-N-methyl substituent, heteroaryl linker and the nature of terminal aryl group are critical for the ligand to achieve potent alpha 7 NNR agonist activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.105

文献信息

• [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。
• BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES
  申请人：Ji Jianguo

  公开号：US20110124676A1

  公开（公告）日：2011-05-26

  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.

  本发明涉及取代双芳基氮杂环烷烃衍生物、包含该类化合物的组合物以及使用该类化合物和组合物治疗疾病和疾病的方法。
• BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES
  申请人：Ji Jianguo

  公开号：US20090197860A1

  公开（公告）日：2009-08-06

  The invention relates biaryl substituted diazabicycloalkanes, and more particularly bicycloheteroaryl substituted fused diazabicycloalkane derivatives, compositions comprising such compounds, and methods of preventing or treating conditions and disorders using such compounds and compositions.

  本发明涉及生物芳基取代的二氮杂双环烷，更具体地，涉及双环杂芳基取代的融合二氮杂双环烷衍生物，包括这些化合物的组合物，以及使用这些化合物和组合物预防或治疗疾病和症状的方法。
• Biaryl substituted azabicyclic alkane derivatives as nicotinic acetylcholine receptor activity modulators
  申请人：Abbott Laboratories

  公开号：EP2280010A2

  公开（公告）日：2011-02-02

  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.

  本发明涉及双芳基取代的氮杂环烷烃衍生物、包含此类化合物的组合物以及使用此类化合物和组合物治疗疾病的方法。
• N-Biaryl substituted diazabicycloalkane derivatives as agonists of the alpha7 and alpha4beta2 nACh Receptor
  申请人：AbbVie Inc.

  公开号：EP2604611A1

  公开（公告）日：2013-06-19

  The invention relates to biaryl substituted diazabicycloalkanes of formula (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 α7 and α4β2 nAChR activity Formula: (I).

  本发明涉及式 (I) 的双芳基取代的重氮杂双环烷烃，尤其是双环杂芳基取代的融合重氮杂双环烷烃衍生物、包含此类化合物的组合物，以及用于治疗或预防与 α7 和 α4β2 nAChR 活性有关的病症和紊乱的此类化合物：(I).