biphenyl-2-ylcarbamic acid 1-{2-[(6-bromohexanoyl)methylamino]ethyl}piperidin-4-yl ester | 743460-50-6

• 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: biphenyl-2-ylcarbamic acid 1-{2-[(6-bromohexanoyl)methylamino]ethyl}piperidin-4-yl ester
• 英文别名: 1-(2-(6-Bromo-N-methylhexanamido)ethyl)piperidin-4-yl [1,1'-biphenyl]-2-ylcarbamate；[1-[2-[6-bromohexanoyl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• CAS: 743460-50-6
• 化学式: C₂₇H₃₆BrN₃O₃
• 分子量: 530.505
• InChiKey: QCOGRMBCZKCWJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  34
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  61.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  联苯-2-基氨基甲酸1-[2-(甲基氨基)乙基]哌啶-4-基酯 、 6-溴己酰氯 在 N,N-二异丙基乙胺 作用下， 以 1,1-二氯乙烷 为溶剂， 反应 1.0h， 以73%的产率得到biphenyl-2-ylcarbamic acid 1-{2-[(6-bromohexanoyl)methylamino]ethyl}piperidin-4-yl ester
  参考文献：
  名称：

  Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity

  摘要：

  这项发明涉及到以下式I的化合物：其中R1、R2、R3、R4、R5、R6、R7a、R7b、W、G1、G2、a、b、c、d和m如规范中所定义，或其药学上可接受的盐、溶剂或立体异构体。该发明还涉及包含这些化合物的药物组合物；使用这些化合物的方法；以及制备这些化合物的过程和中间体。

  公开号：

  US20050113417A1

文献信息

• Biphenyl derivatives
  申请人：——

  公开号：US20040167167A1

  公开（公告）日：2004-08-26

  This invention provides biphenyl derivatives of formula I: 1 wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , W, a, b and c are as defined in the specification, or a pharmaceutically acceptable salt or solvate or stereoisomer thereof. The biphenyl derivatives of this invention possess both &bgr; 2 adrenergic receptor agonist and muscarinic receptor antagonist activity and therefore, such biphenyl derivatives are useful for treating pulmonary disorders, such as chronic obstructive pulmonary disease and asthma.

  这项发明提供了式I中的联苯衍生物：其中R1、R2、R3、R4、R5、R6、R7、W、a、b和c如规范中定义，或其药学上可接受的盐、溶剂或立体异构体。本发明的联苯衍生物具有β2肾上腺素受体激动剂和肌力抑制剂活性，因此，这种联苯衍生物可用于治疗肺部疾病，如慢性阻塞性肺疾病和哮喘。
• Biphenyl compounds useful as muscarinic receptor antagonists
  申请人：Mammen Mathai

  公开号：US20050203131A1

  公开（公告）日：2005-09-15

  This invention provides compounds of formula I: wherein a, b, c, d, m, n, p, r, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , and W are as defined in the specification. The compounds of formula I are muscarinic receptor antagonists. The invention also provides pharmaceutical compositions containing such compounds, processes and intermediates for preparing such compounds and methods of using such compounds to treat pulmonary disorders.

  本发明提供了I式化合物：其中a、b、c、d、m、n、p、r、R1、R2、R3、R4、R5、R6、R7和W如规范中所定义。I式化合物是肌动蛋白受体拮抗剂。该发明还提供了含有这种化合物的制药组合物，制备这种化合物的过程和中间体，以及使用这种化合物治疗肺部疾病的方法。
• Library of biphenyl derivatives
  申请人：——

  公开号：US20040209915A1

  公开（公告）日：2004-10-21

  This invention provides a library of biphenyl derivatives of formula I: 1 wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , W, a, b and c are as defined in the specification, or a salt or stereoisomer thereof. The library is useful for identifying compounds having both &bgr; 2 adrenergic receptor agonist and muscarinic receptor antagonist activity. Accordingly, this invention also provides methods of evaluating or screening a library of biphenyl derivatives to identifying compounds having such bifunctional activity.

  本发明提供了一种公式I的联苯衍生物库：1其中R1、R2、R3、R4、R5、R6、R7、W、a、b和c如规范中所定义，或其盐或立体异构体。该库对于鉴定具有β2肾上腺素能受体激动剂和肌动蛋白受体拮抗剂活性的化合物非常有用。因此，本发明还提供了评估或筛选联苯衍生物库以鉴定具有这种双重功能活性的化合物的方法。
• Biphenyl derivatives having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity
  申请人：——

  公开号：US20040209860A1

  公开（公告）日：2004-10-21

  This invention provides biphenyl derivatives containing (i) a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; (ii) a substituted 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; and a divalent hydrocarbon group, where each group is further defined and optionally substituted as described in the specification. The biphenyl derivatives of the invention possess both &bgr; 2 adrenergic receptor agonist and muscarinic receptor antagonist activity and therefore, such biphenyl derivatives are useful for treating pulmonary disorders, such as chronic obstructive pulmonary disease and asthma.

  该发明提供了含有以下结构的联苯衍生物：(i)一个(biphenyl-2-yl)oxycarbonylamino-或(biphenyl-2-yl)aminocarbonylamino取代的(2-7C)氮杂环烷基或(5-10C)氮杂双环烷基；(ii)一个取代的2-(4-羟基苯基)-2-羟乙基氨基基团；以及一个二价碳氢基团，其中每个基团进一步在说明书中描述并可选地取代。该发明的联苯衍生物具有β2肾上腺素受体激动剂和毒蕈碱受体拮抗剂活性，因此，这种联苯衍生物对于治疗肺部疾病，如慢性阻塞性肺疾病和哮喘，是有用的。
• BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS
  申请人：MAMMEN Mathai

  公开号：US20110059931A1

  公开（公告）日：2011-03-10

  This invention provides compounds of formula I: wherein a, b, c, d, m, n, p, r, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , and W are as defined in the specification. The compounds of formula I are muscarinic receptor antagonists. The invention also provides pharmaceutical compositions containing such compounds, processes and intermediates for preparing such compounds and methods of using such compounds to treat pulmonary disorders.

  该发明提供了I式化合物：其中a，b，c，d，m，n，p，r，R1，R2，R3，R4，R5，R6，R7和W的定义如规范中所述。I式化合物是肌肉型受体拮抗剂。该发明还提供了含有这种化合物的制药组合物，制备这种化合物的过程和中间体以及使用这种化合物治疗肺部疾病的方法。