3-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-2,2-diphenylpropanoicacid | 850607-56-6

• 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-diphenylpropanoicacid
• 英文别名: 3-((endo)-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-2,2-diphenyl-propionic acid
• CAS: 850607-56-6
• 化学式: C₂₃H₂₇NO₂
• 分子量: 349.473
• InChiKey: NYBGTVSENFSZOR-ZHPFXUNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.32
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  40.54
• 氢给体数：
  1.0
• 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-diphenylpropanoicacid 在 lithium aluminium tetrahydride 、 水 、 sodium sulfate 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 3-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-2,2-diphenyl-1-propanol
  参考文献：
  名称：

  Design, Synthesis, and Structure−Activity Relationship of Tropane Muscarinic Acetylcholine Receptor Antagonists

  摘要：

  Novel tropane derivatives were characterized as muscarinic acetylcholine receptor antagonists (mAChRs). Through optimization of the structure-activity relationship around the tropane scaffold, the quaternary ammonium salt 34 was identified as a very Potent M(3) mAChR antagonist. The compound was functionally active and displayed greater than 24 It duration of action in a mouse model of bronchoconstriction.

  DOI：

  10.1021/jm900736e
• 作为产物：
  描述：

  甲酸 、 1,1-diphenyl-2-tropan-3-yl-ethanol 在 硫酸 作用下， 反应 168.0h， 以48%的产率得到3-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-2,2-diphenylpropanoicacid
  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

文献信息

• 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] 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。
• [EN] PYRIDINE-3-SULFONAMIDE COMPOUNDS AS PI3-KINASE INHIBITORS<br/>[FR] COMPOSÉS DE PYRIDINE-3-SULFONAMIDE UTILISÉS EN TANT QU'INHIBITEURS DE PI3-KINASE
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2019020657A1

  公开（公告）日：2019-01-31

  The invention is directed to compounds of formula (I) and salts thereof. The compounds are inhibitors of kinase activity, in particular PI3-kinase activity.

  这项发明涉及式(I)的化合物及其盐。这些化合物是激酶活性抑制剂，特别是PI3激酶活性抑制剂。
• [EN] 2,3-BENZOXAZIN DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS<br/>[FR] DERIVES DE 2,3-BENZOXAZINE UTILISES EN TANT QUE MODULATEURS NON STEROIDIENS DU RECEPTEUR GLUCOCORTICOIDE
  申请人：GLAXO GROUP LTD

  公开号：WO2006000398A1

  公开（公告）日：2006-01-05

  The present invention provides compounds of formula (I), wherein R1 represents 1-ethylpropyl, 1-methylethyl or 2-methylpropyl; or a physiologically functional derivative thereof; pharmaceutical compositions comprising the compounds, the use of the compounds for the manufacture of medicaments particularly for the treatment of inflammatory and/or allergic conditions, processes for the preparation of the compounds, and chemical intermediates in the processes for the manufacture of the compounds.

  本发明提供了式(I)的化合物，其中R1代表1-乙基丙基、1-甲基乙基或2-甲基丙基；或其生理功能衍生物；包括这些化合物的药物组合物，这些化合物用于制造药物，特别用于治疗炎症和/或过敏症状，以及用于制备这些化合物的过程和制造这些化合物的化学中间体。