N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide | 1043687-61-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide
• CAS: 1043687-61-1；588704-11-4
• 化学式: C₁₆H₁₈N₂O₂
• 分子量: 270.331
• InChiKey: CGFMUJGGEUGESY-BXUZGUMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 N-[(3R,5R)-1-azabicyclo[3.2.1]oct-3-yl]-1-benzofuran-5-carboxamide hydrochloride
  参考文献：
  名称：

  Discovery of N-[(3R,5R)-1-azabicyclo[3.2.1]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide as an agonist of the α7 nicotinic acetylcholine receptor: In vitro and in vivo activity

  摘要：

  A novel alpha 7 nAChR agonist, N-[(3R,5R)-1-azabicyclo[3.2.1]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide ( 3a, PHA-709829), has been identified for the potential treatment of cognitive deficits in schizophrenia. The compound shows potent and selective a7 in vitro activity, excellent brain penetration, good rat oral bioavailability and robust in vivo efficacy in a rat auditory sensory gating model. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.070
• 作为产物：
  描述：

  1-苯并呋喃-5-甲酸 、 (3R,5R)-1-azabicyclo[3.2.1]octan-3-amine dihydrochloride 在 O-(7-azabenzotriazole-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-5-carboxamide
  参考文献：
  名称：

  Discovery of N-[(3R,5R)-1-azabicyclo[3.2.1]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide as an agonist of the α7 nicotinic acetylcholine receptor: In vitro and in vivo activity

  摘要：

  A novel alpha 7 nAChR agonist, N-[(3R,5R)-1-azabicyclo[3.2.1]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide ( 3a, PHA-709829), has been identified for the potential treatment of cognitive deficits in schizophrenia. The compound shows potent and selective a7 in vitro activity, excellent brain penetration, good rat oral bioavailability and robust in vivo efficacy in a rat auditory sensory gating model. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.070

文献信息

• Azabicyclic compounds for the treatment of disease
  申请人：——

  公开号：US20030232853A1

  公开（公告）日：2003-12-18

  The invention provides compounds of Formula I: 1 wherein Azabicyclo is 2 These compounds may be in the form of pharmaceutical salts or compositions, may be in pure enantiomeric form or racemic mixtures, and are useful in pharmaceuticals in which &agr;7 is known to be involved.

  这项发明提供了Formula I的化合物： 其中Azabicyclo是 这些化合物可以是药用盐或组合物的形式，可以是纯对映体形式或混合物，对已知涉及α7的药物具有用处。
• Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds
  申请人：Corbett W. Jeffrey

  公开号：US20050245504A1

  公开（公告）日：2005-11-03

  The present invention relates to compositions and methods to treat diseases or condition with an α7 nAChR full agonist and an inhibitor of cholinesterase, and or beta secretase and or gamma secretase.

  本发明涉及利用α7 nAChR全激动剂和胆碱酯酶抑制剂，和/或beta秘鲁和/或gamma秘鲁的组合物和方法来治疗疾病或症状。
• Treatment of attention defecit hyperactivity disorder
  申请人：Rogers N. Bruce

  公开号：US20050107425A1

  公开（公告）日：2005-05-19

  The present invention relates to compositions and methods to treat ADHD with an α7 nAChR full agonist and psychostimulants and/or monoamine reuptake inhibitors.

  本发明涉及使用α7 nAChR全激动剂和精神刺激剂和/或单胺再摄取抑制剂的组合物和方法来治疗ADHD。
• Treatment of diseases with alpha-7nACh receptor full agonists
  申请人：Groppi E. Vincent

  公开号：US20060019984A1

  公开（公告）日：2006-01-26

  The present invention relates to compositions and methods to treat diseases or conditions with alpha-7 nicotinic acetylcholine receptor (AChR) full agonists by decreasing levels of tumor necrosis factor-alpha and/or by stimulating vascular angiogenesis.

  本发明涉及使用α-7烟碱乙酰胆碱受体（AChR）全激动剂治疗疾病或病症的组合物和方法，通过降低肿瘤坏死因子-α的水平和/或刺激血管生成来实现。
• AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP1476448A2

  公开（公告）日：2004-11-17