hydroxy-phenyl-o-tolyl-acetic acid (R)-1-aza-bicyclo[2.2.2]oct-3-yl ester | 1094543-00-6

• 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: hydroxy-phenyl-o-tolyl-acetic acid (R)-1-aza-bicyclo[2.2.2]oct-3-yl ester
• 英文别名: Hydroxy-phenyl-o-tolyl-acetic acid (R)-(1-aza-bicyclo[2.2.2]oct-3-yl)ester；[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2-(2-methylphenyl)-2-phenylacetate
• CAS: 1094543-00-6
• 化学式: C₂₂H₂₅NO₃
• 分子量: 351.445
• InChiKey: OROPICVQUSWRAH-AIBWNMTMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (R)-3-[2-hydroxy-2-(4-methoxy-phenyl)-2-phenyl-acetoxy]-1-(isoxazol-3-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2]octane bromide 、 hydroxy-(4-methoxy-phenyl)-phenyl-acetic acid (R)-1-aza-bicyclo[2.2.2]oct-3-yl ester 、 hydroxy-phenyl-o-tolyl-acetic acid (R)-1-aza-bicyclo[2.2.2]oct-3-yl ester 生成 (R)-3-(2-hydroxy-2-phenyl-2-o-tolyl-acetoxy)-1-(isoxazol-3-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2]octane bromide
  参考文献：
  名称：

  Quinuclidine derivatives and their use as muscarinic M3 receptor antagonists

  摘要：

  公式（I）的化合物；以盐或双离子形式存在，其中R1、R2、R3和R4的含义如规范中所示，可用于治疗由肌肉型M3受体介导的疾病，尤其是炎症性或阻塞性呼吸道疾病。还描述了包含这些化合物的制药组合物和制备这些化合物的过程。

  公开号：

  US08084463B2
• 作为产物：
  描述：

  hydroxy-bis(3-methoxy-phenyl)acetic acid (R)-1-aza-bicyclo[2.2.2]oct-3-yl ester 、 3,3'-dimethoxy-benzilic acid 、 2-羟基-2-(2-甲基苯基)-2-苯基-乙酸 生成 hydroxy-phenyl-o-tolyl-acetic acid (R)-1-aza-bicyclo[2.2.2]oct-3-yl ester
  参考文献：
  名称：

  Quinuclidine derivatives and their use as muscarinic M3 receptor antagonists

  摘要：

  公式（I）的化合物；以盐或双离子形式存在，其中R1、R2、R3和R4的含义如规范中所示，可用于治疗由肌肉型M3受体介导的疾病，尤其是炎症性或阻塞性呼吸道疾病。还描述了包含这些化合物的制药组合物和制备这些化合物的过程。

  公开号：

  US08084463B2

文献信息

• Organic Compounds
  申请人：Press Neil John

  公开号：US20090048281A1

  公开（公告）日：2009-02-19

  Compounds of Formula (I); in salt or zwitterionic form wherein R 1 , R 2 , R 3 and R 4 have the meanings as indicated in the specification, are useful for treating conditions that are mediated by the muscarinic M3 receptor, especially inflammatory or obstructive airways diseases. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  式（I）的化合物；以盐或双电离形式存在，其中R1，R2，R3和R4具有规范中指示的含义，可用于治疗由肌肉型M3受体介导的疾病，尤其是炎症性或阻塞性呼吸道疾病。还描述了含有该化合物的制药组合物和制备该化合物的过程。
• QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS
  申请人：Press Neil John

  公开号：US20100168132A1

  公开（公告）日：2010-07-01

  Compounds of Formula (I) ; in salt or zwitterionic form wherein R 1 , R 2 , R 3 and R 4 have the meanings as indicated in the specification, are useful for treating conditions that are mediated by the muscarinic M3 receptor, especially inflammatory or obstructive airways diseases. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  式(I)的化合物；以盐或双电离形式存在，其中R1，R2，R3和R4的含义如规范中所示，对于治疗由肌肉型M3受体介导的情况，特别是炎症性或阻塞性气道疾病是有用的。还描述了包含这些化合物的制药组合物和制备这些化合物的过程。
• Quinuclidine derivatives and their use as muscarinic m3 receptor antagonists
  申请人：Novartis AG

  公开号：US07723356B2

  公开（公告）日：2010-05-25

  Compounds of Formula (I); in salt or zwitterionic form wherein R1, R2, R3 and R4 have the meanings as indicated in the specification, are useful for treating conditions that are mediated by the muscarinic M3 receptor, especially inflammatory or obstructive airways diseases. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  式(I)的化合物；以盐或双电离形式存在，其中R1、R2、R3和R4的含义如规范所示，可用于治疗由肌肉型M3受体介导的疾病，特别是炎症性或阻塞性呼吸道疾病。还描述了含有该化合物的制药组合物和制备该化合物的方法。