biphenyl-2-ylcarbamic acid 1-{9-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]nonyl}piperidin-4-yl ester naphthalene-1,5-disulfonic acid salt | 743460-28-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: biphenyl-2-ylcarbamic acid 1-{9-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]nonyl}piperidin-4-yl ester naphthalene-1,5-disulfonic acid salt
• 英文别名: [1-[9-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;naphthalene-1,5-disulfonic acid
• CAS: 743460-28-8
• 化学式: C₁₀H₈O₆S₂*C₃₈H₄₈N₄O₅
• 分子量: 929.125
• InChiKey: ALUJWTGQXYXOLQ-XLQCLRHOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  65
• 可旋转键数：
  19
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  249
• 氢给体数：
  7
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  THRX-198321 、 1,5-萘二磺酸 在 甲醇 作用下， 以 甲醇 为溶剂， 反应 36.0h， 以to give the title compound (1.16 g, 80% yield) as off-white crystalline solid的产率得到biphenyl-2-ylcarbamic acid 1-{9-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]nonyl}piperidin-4-yl ester naphthalene-1,5-disulfonic acid salt
  参考文献：
  名称：

  Biphenyl derivatives

  摘要：

  该发明提供了公式I的联苯衍生物：其中R1，R2，R3，R4，R5，R6，R7，W，a，b和c如规范中定义的那样，或其药学上可接受的盐或溶剂或立体异构体。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，这些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。

  公开号：

  US20060223859A1

文献信息

• Crystalline form of a biphenyl compound
  申请人：Chao Robert

  公开号：US20050182092A1

  公开（公告）日：2005-08-18

  The invention provides a crystalline naphthalene-1,5-disulfonic acid salt of biphenyl-2-ylcarbamic acid 1-9-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-quinolin-5-yl)ethylamino]nonyl}piperidin-4-yl ester or a solvate thereof. This invention also provides pharmaceutical compositions comprising such a salt or prepared using such a salt; processes and intermediates for preparing such a salt; and methods of using such a salt to treat a pulmonary disorder.

  该发明提供了双苯基氨基甲酸1-9-[(R)-2-羟基-2-(8-羟基-2-氧代-1,2-二氢喹啉-5-基)乙基]壬基}哌嗪-4-基酯的萘-1,5-二磺酸盐晶体或其溶剂化物。该发明还提供了包含此种盐或使用此种盐制备的药物组合物；制备此种盐的过程和中间体；以及使用此种盐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 DERIVATIVES
  申请人：Mammen Mathai

  公开号：US20110312994A1

  公开（公告）日：2011-12-22

  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 asthma.

  该发明提供了式I的联苯衍生物： 其中，R1、R2、R3、R4、R5、R6、R7、W、a、b和c在规范中定义，或其药学上可接受的盐或溶剂或立体异构体。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，这些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 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。