N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-4-iodo-1H-pyrazole-1-carboxamide hydrochloride | 655785-31-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 奎宁环
• 英文名称: N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-4-iodo-1H-pyrazole-1-carboxamide hydrochloride
• 英文别名: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-iodopyrazole-1-carboxamide;hydrochloride
• CAS: 655785-31-2
• 化学式: C₁₁H₁₅IN₄O*ClH
• 分子量: 382.632
• InChiKey: AJRVZMUWVDKPMK-PPHPATTJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.56
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  50.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-4-iodo-1H-pyrazole-1-carboxamide 生成 N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-4-iodo-1H-pyrazole-1-carboxamide hydrochloride
  参考文献：
  名称：

  [EN] 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY
  [FR] COMPOSES AZABICYCLIQUE DE 1H-PYRAZOLE ET 1H-PYRROLE SERVANT A EFFECTUER UN TRAITEMENT THERAPEUTIQUE

  摘要：

  这项发明提供了Formula (I)的化合物，其中Azabicyclo是Formula (I, II, III, IV, V, VI, VII); W是Formula (m); 其中变量的定义如本文所述。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，对于治疗已知涉及α7的疾病或症状的药物具有用处。

  公开号：

  WO2004013137A1

文献信息

• [EN] COMPOUNDS AS RADIOLIGANDS FOR THE DIAGNOSIS OF DISEASE<br/>[FR] COMPOSES UTILISES COMME LIGANDS RADIOACTIFS POUR DIAGNOSTIQUER UNE MALADIE
  申请人：UPJOHN CO

  公开号：WO2004052889A1

  公开（公告）日：2004-06-24

  Radiolabeled ligands useful as probes for determining the relative abundance, receptor occupancy, and/or function of nicotinic acetylcholine receptors. The compounds of Formula I as described herein are labeled with a radioactive isotopic moiety such as 11C, 18F, 76Br, 123I or 125I. Disorders are diagnosed by administering to a mammal a detectably labeled compound and detecting the binding of that compound to the nAChR. The compounds that have been administered are detected using methods including, but not limited to, position emission topography and single-photon to emission computed tomography. The present invention is useful in diagnosing a wide variety of diseases and disorders as discussed herein.

  放射性标记的配体可用作探针，用于确定尼古丁乙酰胆碱受体的相对丰度、受体占有率和/或功能。本文描述的式I化合物标记有放射性同位素基团，如11C、18F、76Br、123I或125I。通过向哺乳动物注射可检测标记的化合物，并检测该化合物与nAChR的结合来诊断疾病。已经注射的化合物可使用包括但不限于正电子发射断层扫描和单光子发射计算机断层扫描在内的方法进行检测。本发明在诊断各种疾病和障碍方面具有实用性，如本文所述。
• 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。
• 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease
  申请人：——

  公开号：US20040087616A1

  公开（公告）日：2004-05-06

  The invention provides compounds of Formula I: 1 wherein Azabicyclo is 2 where the variables have the definitions discussed herein. 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 to treat a disease or condition in which &agr;7 is known to be involved.

  本发明提供了I式化合物：1其中Azabicyclo为2其中变量的定义如下所述。这些化合物可以是药物盐或组合物的形式，可以是纯对映体形式或混合物，可用于制备药物以治疗已知涉及α7的疾病或病症。
• 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。
• 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease
  申请人：Piotrowski W. David

  公开号：US20060116395A1

  公开（公告）日：2006-06-01

  The invention provides compounds of Formula I: wherein Azabicyclo is W is where the variables have the definitions discussed herein. 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 to treat a disease or condition in which α7 is known to be involved.

  本发明提供了I式化合物：其中Azabicyclo是W是其中变量的定义在此处讨论。这些化合物可以是药物盐或组合物的形式，可以是纯对映体形式或混合物，可用于制药以治疗已知α7参与的疾病或状况。