a-(羟基甲基)-苯乙酸1-氮杂双环[2.2.2]辛-3-基酯 | 87395-64-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 奎宁环
• 中文名称: a-(羟基甲基)-苯乙酸1-氮杂双环[2.2.2]辛-3-基酯
• 英文名称: (+/-)-3-quinuclidinyl (+/-)-tropate
• 英文别名: 3-Quinuclidinyl tropate；1-azabicyclo[2.2.2]octan-3-yl 3-hydroxy-2-phenylpropanoate
• CAS: 87395-64-0
• 化学式: C₁₆H₂₁NO₃
• 分子量: 275.348
• InChiKey: UAOWRURGPHRVET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  乙酰托品酰氯 、 奎宁环-3-醇 盐酸盐 在 水 作用下， 生成 a-(羟基甲基)-苯乙酸1-氮杂双环[2.2.2]辛-3-基酯
  参考文献：
  名称：

  Parasympatholytic (anticholinergic) esters of the isomeric 2-tropanols. 2. Non-glycolates

  摘要：

  The 19 esters in Table I were prepared from (+)-2 alpha-tropanol, (-)-2 beta-tropanol, (+/-)-3-quinuclidinol, and a variety of non-glycolic acids in order to compare their central and peripheral activities with those of the glycolates reported in the previous paper. The results (Table II) showed that esters 6 and 17 were approximately equivalent to one another and to atropine, that 8 was equal in both central and peripheral activity to reference glycolates, that 9 and 19 were less active than 8 but 9 had a substantially reduced central activity, and that 10 and 11 were more active than the methoxy analogue reported earlier.

  DOI：

  10.1021/jm00366a023

文献信息

• [EN] 3,4,6,7-TETRAHYDRO-1 H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONES AND THEIR THERAPEUTIC USE<br/>[FR] 3,4,6,7-TÉTRAHYDRO-1H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONES ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：ARGENTA DISCOVERY LTD

  公开号：WO2009060203A1

  公开（公告）日：2009-05-14

  A compound of formula (IA) or (IB): wherein A is aryl or heteroaryl; D is oxygen or sulphur; R1, R2, R3 and R5 are independently each hydrogen, halogen, nitro, cyano, C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, hydroxy or C1-C6-alkoxy or C2-C6- alkenyloxy,, wherein C1-C6-alkyl and C1-C6-alkoxy can be further substituted with one to three identical or different radicals selected from the group consisting of halogen, hydroxy and C1-C4-alkoxy; R4 is hydrogen CrC6-alkyl, formyl, aminocarbonyl, mono- or di-C1-C4- alkylaminocarbonyl, C3-C8-cycloalkylcarbonyl, C1-C6-alkylcarbonyl, C1-C6- alkoxycarbonyl, N-(C1-C4-alkylsulfonyl)-aminocarbonyl, N-(C1-C4-alkylsulfonyl)-N-(C1-C4-alkyl)-aminocarbonyl, heteroaryl, heterocycloalkyl, heteroarylcarbonyl or heterocycloalkylcarbonyl; wherein C1-C6-alkyl, mono- and di-C1-C4- alkylaminocarbonyl, C1-C6-alkylcarbonyl, C1-C2-alkoxycarbonyl, heteroaryl and heterocycloalkyl can be substituted with one to three identical or different radicals selected from the group consisting of aryl, heteroaryl, hydroxyl, C1-C4-alkoxy, hydroxycarbonyl, C1-C6-alkoxycarbonyl, aminocarbonyl, mono and di-C1-C4- alkylaminocarbonyl, amino, mono- and di-C1-C4-alkylamino, C1-C4- alkylcarbonylamino, cyano, N-(mono- and di-Ci-C4-alkylamino-d-C4-alkyl)- aminocarbonyl, N-(C1-C4-alkoxy-C1-C4-alkyl)-aminocarbonyl or halogen; -[Linker]- is a divalent linker radical; and M is a moiety having M3 receptor antagonist activity.

  式（IA）或（IB）的化合物：其中A是芳基或杂环芳基；D是氧或硫；R1、R2、R3和R5分别独立地是氢、卤素、硝基、氰基、C1-C6-烷基、C2-C6-烯基、C2-C6-炔基、羟基或C1-C6-烷氧基或C2-C6-烯氧基，其中C1-C6-烷基和C1-C6-烷氧基可以进一步被选择自卤素、羟基和C1-C4-烷氧基的相同或不同基团取代；R4是氢、CrC6-烷基、甲酰基、氨基甲酰基、单或双C1-C4-烷基氨基甲酰基、C3-C8-环烷基甲酰基、C1-C6-烷基甲酰基、C1-C6-烷氧基甲酰基、N-(C1-C4-烷基磺酰基)-氨基甲酰基、N-(C1-C4-烷基磺酰基)-N-(C1-C4-烷基)-氨基甲酰基、杂环芳基、杂环烷基、杂环芳基甲酰基或杂环烷基甲酰基；其中C1-C6-烷基、单和双C1-C4-烷基氨基甲酰基、C1-C6-烷基甲酰基、C1-C2-烷氧基甲酰基、杂环芳基和杂环烷基可以被选择自芳基、杂环芳基、羟基、C1-C4-烷氧基、羟基甲酰基、C1-C6-烷氧基甲酰基、氨基甲酰基、单和双C1-C4-烷基氨基甲酰基、氨基、单和双C1-C4-烷基胺基、C1-C4-烷基甲酰胺基、氰基、N-(单和双C1-C4-烷基胺基-d-C4-烷基)-氨基甲酰基、N-(C1-C4-烷氧基-C1-C4-烷基)-氨基甲酰基或卤素的相同或不同基团取代；-[连接物]-是二价连接物基团；M是具有M3受体拮抗活性的基团。
• Method for the treatment or prevention of respiratory disorders with a cyclooxygenase-2 inhibitor in combination with a muscarinic receptor antagonist and compositions therewith
  申请人：Seibert Karen

  公开号：US20050107349A1

  公开（公告）日：2005-05-19

  The present invention relates to a novel method of preventing and/or treating respiratory disorders and respiratory disorder-related complications in a subject by administering to the subject at least one Cox-2 inhibitor in combination with one or more muscarinic receptor antagonists. Compositions, pharmaceutical compositions and kits are also described.

  本发明涉及一种新的方法，通过给予受试者至少一种Cox-2抑制剂和一种或多种肌肉性受体拮抗剂的组合，预防和/或治疗呼吸系统疾病及其相关并发症。还描述了组合物、制药组合物和工具包。
• [EN] METHOD FOR THE TREATMENT OR PREVENTION OF RESPIRATORY DISORDERS WITH A CYCLOOXYGENASE-2 INHIBITOR IN COMBINATION WITH A MUSCARINIC RECEPTOR ANTAGONIST AND COMPOSITIONS THEREWITH<br/>[FR] PROCEDES DESTINES AU TRAITEMENT OU A LA PREVENTION DE TROUBLES RESPIRATOIRES AVEC UN INHIBITEUR DE CYCLOOXYGENASE-2 UTILISE EN COMBINAISON AVEC UN ANTAGONISTE DE RECEPTEUR MUSCARINIQUE ET COMPOSITION LES CONTENANT
  申请人：PHARMACIA CORP

  公开号：WO2005009340A2

  公开（公告）日：2005-02-03

  The present invention relates to a novel method of preventing and/or treating respiratory disorders and respiratory disorder-related complications in a subject by administering to the subject at least one Cox-2 inhibitor in combination with one or more muscarinic receptor antagonists. Compositions, pharmaceutical compositions and kits are also described.
• Parasympatholytic (anticholinergic) esters of the isomeric 2-tropanols. 2. Non-glycolates
  作者：Edward R. Atkinson、Donna D. McRitchie-Ticknor、Louis S. Harris、Sydney Archer、Mario D. Aceto、J. Pearl、F. P. Luduena

  DOI：10.1021/jm00366a023

  日期：1983.12

  The 19 esters in Table I were prepared from (+)-2 alpha-tropanol, (-)-2 beta-tropanol, (+/-)-3-quinuclidinol, and a variety of non-glycolic acids in order to compare their central and peripheral activities with those of the glycolates reported in the previous paper. The results (Table II) showed that esters 6 and 17 were approximately equivalent to one another and to atropine, that 8 was equal in both central and peripheral activity to reference glycolates, that 9 and 19 were less active than 8 but 9 had a substantially reduced central activity, and that 10 and 11 were more active than the methoxy analogue reported earlier.