biphenyl-2-ylcarbamic acid 1-[2-({3-[2-(3-{(S)-2-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]propyl}phenyl)acetylamino]-propyl}methylcarbamoyl)ethyl]piperidin-4-yl ester | 1253580-05-0

• 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-({3-[2-(3-{(S)-2-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]propyl}phenyl)acetylamino]-propyl}methylcarbamoyl)ethyl]piperidin-4-yl ester
• 英文别名: [1-[3-[3-[[2-[3-[(2S)-2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]propyl-methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• CAS: 1253580-05-0
• 化学式: C₄₇H₅₆N₆O₇
• 分子量: 816.998
• InChiKey: TYXCVHIRUSKPFD-QGDVVULKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  60
• 可旋转键数：
  19
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  173
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  [1,1'-联苯]-2-基氨基甲酸4-哌啶基酯 在 哌啶 、 2-氯-1-甲基吡啶碘化物 、 triethylamine tris(hydrogen fluoride) 、 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， 反应 1.83h， 生成 biphenyl-2-ylcarbamic acid 1-[2-({3-[2-(3-{(S)-2-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]propyl}phenyl)acetylamino]-propyl}methylcarbamoyl)ethyl]piperidin-4-yl ester
  参考文献：
  名称：

  [EN] DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND ß2 ADRENERGIC RECEPTOR AGONIST ACTIVITY
  [FR] COMPOSES DIAMIDES AYANT UN ANTAGONISTE DU RECEPTEUR MUSCARINIQUE ET UNE ACTIVITE AGONISTE DES RECEPTEURS ADRENERGIQUES BETA2

  摘要：

  这项发明涉及公式I的化合物；或其药学上可接受的盐。这些化合物具有毛细血管收缩受体拮抗剂和β2肾上腺素受体激动剂活性。该发明还涉及包含这些化合物的药物组合物、制备这些化合物的过程和中间体，以及将这些化合物用作支气管扩张剂治疗肺部疾病的方法。

  公开号：

  WO2010123766A1

文献信息

• DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY
  申请人：Hughes Adam

  公开号：US20130137665A1

  公开（公告）日：2013-05-30

  This invention relates to a compound of formula I: or a pharmaceutically acceptable salt thereof. Such compounds possess both muscarinic receptor antagonist and β 2 adrenergic receptor agonist activities. The invention also relates to pharmaceutical compositions comprising such compounds, processes and intermediates for preparing such compounds, and methods of using such compounds as bronchodilating agents to treat pulmonary disorders.

  本发明涉及公式I的化合物或其药学上可接受的盐。此类化合物具有毒蕈碱受体拮抗剂和β2肾上腺素受体激动剂活性。本发明还涉及包含此类化合物的制药组合物，制备此类化合物的过程和中间体，以及将此类化合物用作支气管扩张剂治疗肺部疾病的方法。
• NOVEL BLT2-MEDIATED DISEASE, AND BLT2 BINDING AGENT AND COMPOUND
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1745800A1

  公开（公告）日：2007-01-24

  [PROBLEM] The compound that selectively binds to BLT2 and the preventive and/or therapeutic drug for BLT2-mediated disease such as skin disease are needed. [MEANS FOR SOLVING THE PROBLEMS] The present invention provides the compound with BLT2 binding activity, salt thereof, solvate thereof or prodrug thereof. Since the compound with BLT2 binding activity, particularly the compound represented by the formula (I) , salt thereof, solvate thereof or prodrug thereof (symbols in formula have the same meanings as specification.) have BLT2 binding activity, it is useful for prevention and/or therapy of BLT2 mediated diseases, e.g., dermatosis, intestinal disease, HIV infection, acquired immunodeficiency syndrome, rejection to transplant, transplant rejection, graft-versus-host disease, autoimmune disease, allergic disease, inflammation, infection, ulcers, lymphoma, malignant tumor, leucaemia, arterial sclerosis, hepatitis, hepatic cirrhosis or cancer, etc.

  [问题]需要选择性结合 BLT2 的化合物和 BLT2 介导的疾病如皮肤病的预防和/或治疗药物。 [解决问题的方法】本发明提供了具有 BLT2 结合活性的化合物、其盐、其溶液或其原药。由于具有 BLT2 结合活性的化合物，特别是由式（I）代表的化合物 式中的符号含义与说明书相同）具有 BLT2 结合活性，因此可用于预防和/或治疗 BLT2 介导的疾病，例如：皮肤病、肠道疾病、溃疡病、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎等、皮肤病、肠道疾病、艾滋病病毒感染、获得性免疫缺陷综合征、移植排斥、移植排斥、移植物抗宿主疾病、自身免疫性疾病、过敏性疾病、炎症、感染、溃疡、淋巴瘤、恶性肿瘤、白血病、动脉硬化、肝炎、肝硬化或癌症等。
• Novel BLT2-mediated disease, BLT2-binding agent and compound
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP2172222A2

  公开（公告）日：2010-04-07

  [PROBLEM] The compound that selectively binds to BLT2 and the preventive and/or therapeutic drug for BLT2-mediated disease such as skin disease are needed. [MEANS] FOR SOLVING THE PROBLEMS] The present invention provides the compound with BLT2 binding activity, salt thereof, solvate thereof or prodrug thereof. Since the compound with BLT2 binding activity, particularly the compound represented by the formula (I) , salt thereof, solvate thereof or prodrug thereof (symbols in formula have the same meanings as specification.) have BLT2 binding activity, it is useful for prevention and/or therapy of BLT2 mediated diseases, e.g., dermatosis, intestinal disease, HIV infection, acquired immunodeficiency syndrome, rejection to transplant, transplant rejection, graft-versus-host disease, autoimmune disease, allergic disease, inflammation, infection, ulcers, lymphoma, malignant tumor, leucaemia, arterial sclerosis, hepatitis, hepatic cirrhosis or cancer, etc.

  [问题] 需要能选择性地与 BLT2 结合的化合物以及预防和/或治疗 BLT2 介导的疾病 （如皮肤病）的药物。 [解决问题的方法］本发明提供了具有 BLT2 结合活性的化合物、其盐、其溶液或其原药。由于具有 BLT2 结合活性的化合物，特别是式 (I) 所代表的化合物 式中的符号含义与说明书相同）具有 BLT2 结合活性，因此可用于预防和/或治疗 BLT2 介导的疾病，例如：皮肤病、肠道疾病、溃疡病、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎、溃疡性结肠炎等、皮肤病、肠道疾病、艾滋病病毒感染、获得性免疫缺陷综合征、移植排斥、移植排斥、移植物抗宿主疾病、自身免疫性疾病、过敏性疾病、炎症、感染、溃疡、淋巴瘤、恶性肿瘤、白血病、动脉硬化、肝炎、肝硬化或癌症等。
• Diamide Compounds having Muscarinic Receptor Antagonist and Beta 2 Adrenergic Receptor Agonist Activity
  申请人：Theravance Inc

  公开号：EP2599778A1

  公开（公告）日：2013-06-05

  A compound of formula I: or a pharmaceutically acceptable salt thereof having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity.

  式 I 的化合物： 或其药学上可接受的盐，具有毒蕈碱受体拮抗剂和 β2肾上腺素能受体激动剂活性。
• DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA 2 ADRENERGIC RECEPTOR AGONIST ACTIVITY
  申请人：Theravance Respiratory Company, LLC

  公开号：EP3210981A1

  公开（公告）日：2017-08-30

  This invention relates to a compound of formula I: or a pharmaceutically acceptable salt thereof. Such compounds possess both muscarinic receptor antagonist and β2 adrenergic receptor agonist activities. The invention also relates to pharmaceutical compositions comprising such compounds, processes and intermediates for preparing such compounds, and methods of using such compounds as bronchodilating agents to treat pulmonary disorders.

  本发明涉及一种式 I 的化合物： 或其药学上可接受的盐。此类化合物同时具有毒蕈碱受体拮抗剂和β2肾上腺素能受体激动剂活性。本发明还涉及包含此类化合物的药物组合物、制备此类化合物的工艺和中间体，以及使用此类化合物作为支气管扩张剂治疗肺部疾病的方法。