biphenyl-2-yl-Carbamic Acid 1-[2-(4-{[(R)-2-(8-Benzyloxy-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethylamino]methyl}-2-chlorophenylcarbamoyl)ethyl]piperidin-4-yl Ester | 743461-04-3

• 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: biphenyl-2-yl-Carbamic Acid 1-[2-(4-{[(R)-2-(8-Benzyloxy-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethylamino]methyl}-2-chlorophenylcarbamoyl)ethyl]piperidin-4-yl Ester
• 英文别名: [1-[3-[2-chloro-4-[[[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]anilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• CAS: 743461-04-3
• 化学式: C₄₆H₄₆ClN₅O₆
• 分子量: 800.354
• InChiKey: NXXJNGMWQMAPTF-RWYGWLOXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  58
• 可旋转键数：
  16
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  141
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  biphenyl-2-yl-Carbamic Acid 1-[2-(4-{[(R)-2-(8-Benzyloxy-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethylamino]methyl}-2-chlorophenylcarbamoyl)ethyl]piperidin-4-yl Ester 在 palladium 10% on activated carbon 作用下， 以 乙醇 为溶剂， 生成 (R)-1-(3-((2-chloro-4-(((2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl)amino)methyl)phenyl)amino)-3-oxopropyl)piperidin-4-yl [1,1′-biphenyl]-2-ylcarbamate trifluoroacetic acid salt
  参考文献：
  名称：

  Biphenyl derivatives

  摘要：

  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。

  公开号：

  US20040167167A1
• 作为产物：
  描述：

  biphenyl-2-ylcarbamic Acid 1-[2-(4-{[(R)-2-(8-Benzyloxy-2-oxo-1,2-dihydroquinolin-5-yl)-2-(tert-butyldimethylsilanyloxy)ethylamino]methyl]-2-chlorophenylcarbamoyl)-ethyl]piperidin-4-yl Ester 在 triethylamine tris(hydrogen fluoride) 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 以100%的产率得到biphenyl-2-yl-Carbamic Acid 1-[2-(4-{[(R)-2-(8-Benzyloxy-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethylamino]methyl}-2-chlorophenylcarbamoyl)ethyl]piperidin-4-yl Ester
  参考文献：
  名称：

  Biphenyl derivatives

  摘要：

  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。

  公开号：

  US20040167167A1

文献信息

• 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 DERIVATIVES
  申请人：Mammen Mathai

  公开号：US20130150404A1

  公开（公告）日：2013-06-13

  This invention provides biphenyl derivatives of formula I: 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 β 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 asthmas.

  这项发明提供了公式I的联苯衍生物：其中R1、R2、R3、R4、R5、R6、R7、W、a、b和c如规范中所定义，或其药学上可接受的盐或溶剂或立体异构体。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 DERIVATIVE AND ITS USE FOR TREATING PULMONARY DISORDERS
  申请人：Theravance Respiratory Company, LLC

  公开号：EP3012254A1

  公开（公告）日：2016-04-27

  This invention relates to a biphenyl derivative useful for treating pulmonary disorders such as chronic obstructive pulmonary disease and asthma. The invention also relates to pharmaceutical compositions comprising such a biphenyl derivative and such a biphenyl derivative for use in therapy.

  本发明涉及一种可用于治疗慢性阻塞性肺病和哮喘等肺部疾病的联苯衍生物。本发明还涉及包含这种联苯衍生物的药物组合物和用于治疗的这种联苯衍生物。
• BIPHENYL DERIVATIVES HAVING &bgr; sb 2 /sb ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY
  申请人：Theravance Inc

  公开号：EP1592685A1

  公开（公告）日：2005-11-09