Biphenyl-2-ylcarbamic Acid 1-(9-Oxononyl)piperidin-4-yl Ester | 743460-24-4

• 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-(9-Oxononyl)piperidin-4-yl Ester
• 英文别名: 1-(9-oxononyl)piperidin-4-yl biphenyl-2-ylcarbamate；[1-(9-oxononyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
• CAS: 743460-24-4
• 化学式: C₂₇H₃₆N₂O₃
• 分子量: 436.594
• InChiKey: PFOOWBQMAHWOTL-UHFFFAOYSA-N

物化性质

• 沸点：
  556.4±50.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  32
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Biphenyl-2-ylcarbamic Acid 1-(9-Oxononyl)piperidin-4-yl Ester 在 20 % Pd(OH)2/C 、 氢气 、 三乙酰氧基硼氢化钠 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 生成 biphenyl-2-yl-carbamic acid 1-(9-amino-nonyl)-piperidin-4-yl ester
  参考文献：
  名称：

  Discovery of muscarinic acetylcholine receptor antagonist and beta 2 adrenoceptor agonist (MABA) dual pharmacology molecules

  摘要：

  We sought to design dual pharmacology bronchodilators targeting both the M-3 muscarinic acetylcholine and beta-2 adrenergic (beta(2)) receptors by applying our multivalent approach to drug discovery. Herein, we describe our initial discovery and the SAR of the first such compounds with matched potencies at both receptors. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.01.043
• 作为产物：
  描述：

  [1,1'-联苯]-2-基氨基甲酸4-哌啶基酯 在 三氧化硫吡啶 、 二甲基亚砜 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 Biphenyl-2-ylcarbamic Acid 1-(9-Oxononyl)piperidin-4-yl Ester
  参考文献：
  名称：

  Discovery of muscarinic acetylcholine receptor antagonist and beta 2 adrenoceptor agonist (MABA) dual pharmacology molecules

  摘要：

  We sought to design dual pharmacology bronchodilators targeting both the M-3 muscarinic acetylcholine and beta-2 adrenergic (beta(2)) receptors by applying our multivalent approach to drug discovery. Herein, we describe our initial discovery and the SAR of the first such compounds with matched potencies at both receptors. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.01.043

文献信息

• [EN] CORTICOSTEROID-BETA-AGONIST-MUSCARINIC ANTAGONIST COMPOUNDS FOR USE IN THERAPY<br/>[FR] COMPOSÉS DE TYPE CORTICOSTÉROÏDE-BÊTA-AGONISTE-ANTAGONISTE MUSCARINIQUE POUR APPLICATIONS THÉRAPEUTIQUES
  申请人：GILEAD SCIENCES INC

  公开号：WO2011081937A1

  公开（公告）日：2011-07-07

  The instant invention relates to new chemical entities which comprise corticosteroids, phosphorylated β-agonists and muscarinic (M3) antagonists for use in therapy and compositions comprising and processes for preparing the same.

  这项即时发明涉及新的化学实体，包括皮质类固醇、磷酸化β-激动剂和毒蕈碱（M3）拮抗剂，用于治疗以及包含这些化学实体的组合物和制备它们的方法。
• Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity
  申请人：Mammen Mathai

  公开号：US20050113417A1

  公开（公告）日：2005-05-26

  The invention is directed to compounds of formula I: wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7a , R 7b , W, G 1 , G 2 , a, b, c, d and m are as defined in the specification, or a pharmaceutically acceptable salt or solvate or stereoisomer thereof. The invention is also directed to pharmaceutical compositions comprising such compounds; methods of using such compounds; and process and intermediates for preparing such compounds.

  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。
• 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。
• 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。