3-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-2,2-diphenylpropionitrile | 850607-53-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-2,2-diphenylpropionitrile
• 英文别名: 3-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-2,2-diphenylpropanenitrile；3-(8-methyl-8-azabicyclo-[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile；3-((endo)-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-2,2-diphenyl-propionitrile；(endo-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-2,2-diphenyl-propionitrile
• CAS: 850607-53-3
• 化学式: C₂₃H₂₆N₂
• 分子量: 330.473
• InChiKey: IECFFSCULPEXHT-FJPGZJACSA-N

物化性质

• 沸点：
  461.4±25.0 °C(Predicted)
• 密度：
  1.079±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.76
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  27.03
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-2,2-diphenylpropionitrile 在 溴甲烷 作用下， 生成 3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1] octane bromide
  参考文献：
  名称：

  Discovery of (3-endo)-3-(2-cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide as an efficacious inhaled muscarinic acetylcholine receptor antagonist for the treatment of COPD

  摘要：

  Design and syntheses of a novel series of muscarinic antagonists are reported. These efforts have culminated in the discovery of (3-endo)-3-(2-cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide (4a) as a potent and pan-active muscarinic antagonist as well as a functionally active compound in a murine model of bronchoconstriction. The compound has also displayed pharmacokinetic characteristics suitable for inhaled delivery. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.006
• 作为产物：
  描述：

  3-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-2,2-diphenylpropanenitrile trifluoroacetate 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 0.33h， 生成 3-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-2,2-diphenylpropionitrile
  参考文献：
  名称：

  [EN] NOVEL COMBINATION OF THERAPEUTIC AGENTS
  [FR] NOUVELLE COMBINAISON D'AGENTS THÉRAPEUTIQUES

  摘要：

  本文提供了一种新颖的肌肉收缩性乙酰胆碱受体拮抗剂与β2激动剂和/或皮质类固醇的组合，用于通过鼻腔或口腔进行吸入给药，并提供了使用它们的方法。

  公开号：

  WO2009036243A1

文献信息

• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：GLAXO GROUP LTD

  公开号：WO2012035055A1

  公开（公告）日：2012-03-22

  The invention is directed to certain novel compounds. Specifically, the invention directed to compounds of formula (I) and salts thereof. The compounds of the invention are inhibitors of kinase activity, in particular Itk activity.

  这项发明涉及某些新颖的化合物。具体地，该发明涉及公式（I）的化合物及其盐。该发明的化合物是激酶活性抑制剂，特别是Itk活性的抑制剂。
• 5-Lipoxygenase-Activating Protein Inhibitor
  申请人：SCHAAB Kevin Murray

  公开号：US20090291981A1

  公开（公告）日：2009-11-26

  Described herein is the FLAP inhibitor 3-[3-tert-butylsulfanyl-1-[4-(6-ethoxy-pyridin-3-yl)-benzyl]-5-(5-methyl-pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid, or a pharmaceutically acceptable salt thereof. Also described are methods of preparing the FLAP inhibitor, or a pharmaceutically acceptable salt thereof, including solvates, and polymorphs thereof. Also described herein are pharmaceutical compositions suitable for administration to a mammal that include the FLAP inhibitor, or a pharmaceutically acceptable salt thereof, and methods of using such pharmaceutical compositions for treating respiratory conditions or diseases, as well as other leukotriene-dependent or leukotriene mediated conditions or diseases.

  描述了一种FLAP抑制剂：3-[3-叔丁基硫基-1-[4-(6-乙氧基-吡啶-3-基)-苄基]-5-(5-甲基-吡啶-2-基甲氧基)-1H-吲哚-2-基]-2,2-二甲基丙酸，或其药用可接受盐。还描述了制备该FLAP抑制剂的方法，或其药用可接受盐，包括水合物和其多晶型。还描述了适合给予哺乳动物的药物组合物，包括FLAP抑制剂，或其药用可接受盐，以及使用此类药物组合物治疗呼吸系统疾病或疾病的方法，以及治疗其他白三烯依赖性或白三烯介导的条件或疾病的方法。
• [EN] INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：GLAXO GROUP LTD

  公开号：WO2009050243A1

  公开（公告）日：2009-04-23

  The present invention provides compounds of formula (I), a process for their preparation, to pharmaceutical compositions comprising the compounds and the preparation of said compositions, to intermediates, and to use of the compounds for the manufacture of a medicament for therapeutic treatment, particularly for the treatment of inflammation and/or allergic conditions.

  本发明提供了式（I）的化合物，其制备方法，包含该化合物的药物组合物以及所述组合物的制备，中间体，以及利用该化合物制备治疗药物，特别是用于治疗炎症和/或过敏症状。
• [EN] PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS<br/>[FR] COMPOSÉS DE PYRAZOLE AGISSANT CONTRE DES TROUBLES ALLERGIQUES, INFLAMMATOIRES ET IMMUNITAIRES
  申请人：GLAXO GROUP LTD

  公开号：WO2012052459A1

  公开（公告）日：2012-04-26

  The present invention relates to pyrazole amide derivatives pharmaceutical compositions containing these compounds and to their use in therapy.

  本发明涉及吡唑酰胺衍生物、含有这些化合物的药物组合物以及它们在治疗中的用途。
• [EN] PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, IMMUNE AND INFLAMMATORY CONDITIONS<br/>[FR] COMPOSÉS PYRAZOLE AGISSANT CONTRE DES ÉTATS ALLERGIQUES, IMMUNITAIRES ET INFLAMMATOIRES
  申请人：GLAXO GROUP LTD

  公开号：WO2012052458A1

  公开（公告）日：2012-04-26

  The present invention relates to a pyrazole amide derivative, pharmaceutical compositions containing this compound and to its use in therapy.

  本发明涉及一种吡唑酰胺衍生物，含有该化合物的药物组合物及其在治疗中的应用。