4-[1-Hydroxy-2-[[4-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]phenyl]methylamino]ethyl]-2-(hydroxymethyl)phenol | 321708-41-2

• 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: 4-[1-Hydroxy-2-[[4-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]phenyl]methylamino]ethyl]-2-(hydroxymethyl)phenol
• CAS: 321708-41-2
• 化学式: C₂₅H₃₀N₂O₆
• 分子量: 454.523
• InChiKey: XGTQULDWXUSEKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  145
• 氢给体数：
  8
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5-乙酰水杨酸甲酯 在 borane dimethyl sulphide complex 、 氢溴酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 22.0h， 生成 4-[1-Hydroxy-2-[[4-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]phenyl]methylamino]ethyl]-2-(hydroxymethyl)phenol
  参考文献：
  名称：

  A multivalent approach to the discovery of long-acting β2-adrenoceptor agonists for the treatment of asthma and COPD

  摘要：

  A multivalent approach was applied to the design of long-acting inhaled beta(2)-adrenoceptor agonists. A series of dimeric arylethanolamines based on the short acting beta(2)-adrenoceptor agonist albuterol were prepared, varying the nature and length of the linker between the basic nitrogens. None of the C-2-symmetric dimers demonstrated increased potency, however dimer 5j, derived from 4-phenethylamine, was found to have increased binding Potency in vitro relative to the parent monomer. Optimization of this structure led to the identification of 22 (milveterol) which demonstrates high potency in vitro and long duration of action in a guinea pig model of bronchoprotection. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.11.072

文献信息

• [EN] beta 2-ADRENERGIC RECEPTOR AGONISTS<br/>[FR] AGONISTES DES RECEPTEURS ADRENERGIQUES DU BETA 2
  申请人：ADVANCED MEDICINE INC

  公开号：WO2001042193A1

  公开（公告）日：2001-06-14

  Disclosed are multibinding compounds which are β2 adrenergic receptor agonists and are useful in the treatment and prevention of respiratory diseases such as asthma, bronchitis. They are also useful in the treatment of nervous system injury and premature labor.

  本发明涉及多重结合化合物，其为β2肾上腺素能受体激动剂，可用于治疗和预防哮喘、支气管炎等呼吸系统疾病。它们还可用于治疗神经系统损伤和早产。
• Beta2-adrenergic receptor agonists
  申请人：Moran J. Edmund

  公开号：US20050261338A1

  公开（公告）日：2005-11-24

  Disclosed are multibinding compounds which are β2 adrenergic receptor agonists and are useful in the treatment and prevention of respiratory diseases such as asthma, bronchitis. They are also useful in the treatment of nervous system injury and premature labor.

  本发明揭示了多重结合化合物，其是β2肾上腺素能受体激动剂，可用于治疗和预防哮喘、支气管炎等呼吸系统疾病。它们也可用于治疗神经系统损伤和早产。
• Beta 2-adrenergic receptor agonists
  申请人：Moran J. Edmund

  公开号：US20060183918A1

  公开（公告）日：2006-08-17

  Disclosed are multibinding compounds which are β2-adrenergic receptor agonists and are useful in the treatment and prevention of respiratory diseases such as asthma, bronchitis. They are also useful in the treatment of nervous system injury and premature labor.

  本发明涉及多重结合化合物，其是β2-肾上腺素能受体激动剂，并可用于治疗和预防呼吸系统疾病，如哮喘、支气管炎。它们也可用于治疗神经系统损伤和早产。
• Beta2-Adrenergic Receptor Agonists
  申请人：Moran Edmund J.

  公开号：US20080269344A1

  公开（公告）日：2008-10-30

  Disclosed are multibinding compounds which are β2 adrenergic receptor agonists and are useful in the treatment and prevention of respiratory diseases such as asthma, bronchitis. They are also useful in the treatment of nervous system injury and premature labor.

  本发明涉及多结合化合物，其是β2肾上腺素能受体激动剂，可用于治疗和预防哮喘、支气管炎等呼吸系统疾病。它们还可用于治疗神经系统损伤和早产。
• BETA 2-ADRENERGIC RECEPTOR AGONISTS
  申请人：Theravance, Inc.

  公开号：EP1019075B1

  公开（公告）日：2005-08-24