4-{4-[4-(2-aminoethyl)phenoxy]butyl}-2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]phenol | 950679-01-3

• 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: 4-{4-[4-(2-aminoethyl)phenoxy]butyl}-2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]phenol
• 英文别名: 4-[4-[4-(2-aminoethyl)phenoxy]butyl]-2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenol
• CAS: 950679-01-3
• 化学式: C₃₃H₄₆N₂O₂
• 分子量: 502.74
• InChiKey: DLGICPTYUTYOBH-WJOKGBTCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  37
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  58.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-{4-[4-(2-aminoethyl)phenoxy]butyl}-2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]phenol 在 ammonium formate 、 palladium(II) hydroxide 、 碳酸氢钠 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 5-[(1R)-1-{[tert-butyl(dimethyl)silyl]oxy}-2-({2-[4-(4-{3-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-hydroxyphenyl}butoxy)phenyl]ethyl}amino)ethyl]-8-hydroxyquinolin-2(1H)-one
  参考文献：
  名称：

  Inhalation by design: Dual pharmacology β-2 agonists/M3 antagonists for the treatment of COPD

  摘要：

  This paper describes the successful design and development of dual pharmacology beta-2 agonists-M3 antagonists, for the treatment of chronic obstructive pulmonary disorder using the principles of 'inhalation by design'. A key feature of this work is the combination of balanced potency and pharmacodynamic duration with desirable pharmacokinetic and material properties, whilst keeping synthetic complexity to a minimum. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.132
• 作为产物：
  描述：

  (gR)-5-溴-N,N-二(1-甲基乙基)-g-苯基-2-(苯基甲氧基)-苯丙胺 在 盐酸 、 palladium on carbon 、 水 、 氢气 、 palladium diacetate 、 N,N-二异丙基乙胺 、 三(邻甲基苯基)磷 作用下， 以 乙醚 、 乙醇 、 乙腈 为溶剂， 生成 4-{4-[4-(2-aminoethyl)phenoxy]butyl}-2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]phenol
  参考文献：
  名称：

  Inhalation by design: Dual pharmacology β-2 agonists/M3 antagonists for the treatment of COPD

  摘要：

  This paper describes the successful design and development of dual pharmacology beta-2 agonists-M3 antagonists, for the treatment of chronic obstructive pulmonary disorder using the principles of 'inhalation by design'. A key feature of this work is the combination of balanced potency and pharmacodynamic duration with desirable pharmacokinetic and material properties, whilst keeping synthetic complexity to a minimum. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.132

文献信息

• Amine Derivatives
  申请人：James Kim

  公开号：US20090253739A1

  公开（公告）日：2009-10-08

  The invention relates to compounds of formula (1) and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such derivatives. The compounds according to the present invention are useful in numerous diseases, disorders and conditions, in particular inflammatory, allergic and respiratory diseases, disorders and conditions.

  本发明涉及式（1）的化合物以及制备这些化合物的中间体、含有这些化合物的组合物和这些衍生物的用途。根据本发明的化合物在许多疾病、紊乱和状况中有用，特别是在炎症、过敏和呼吸系统疾病、紊乱和状况方面。
• Amine derivatives
  申请人：James Kim

  公开号：US20070265303A1

  公开（公告）日：2007-11-15

  The invention relates to compounds of formula (1) and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such derivatives. The compounds according to the present invention are useful in numerous diseases, disorders and conditions, in particular inflammatory, allergic and respiratory diseases, disorders and conditions.

  该发明涉及公式（1）的化合物以及制备这些衍生物所使用的中间体、包含这些衍生物的组合物和使用这些衍生物的方法。根据本发明的化合物在许多疾病、障碍和状况中具有用途，特别是在炎症、过敏和呼吸道疾病、障碍和状况中。
• Amine derivatives for the treatment of asthma and COPD
  申请人：Pfizer Inc

  公开号：US07612084B2

  公开（公告）日：2009-11-03

  The invention relates to compounds of formula (1) and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such derivatives. The compounds according to the present invention are useful in numerous diseases, disorders and conditions, in particular inflammatory, allergic and respiratory diseases, disorders and conditions.

  本发明涉及式(1)化合物以及用于制备该化合物的中间体的制备方法、含有该化合物的组合物及其用途。根据本发明的化合物在许多疾病、紊乱和病况中具有有用性，特别是在炎症、过敏和呼吸系统疾病、紊乱和病况中。
• AMINE DERIVATIVES
  申请人：Pfizer Limited

  公开号：EP1999107A2

  公开（公告）日：2008-12-10
• US7612084B2
  申请人：——

  公开号：US7612084B2

  公开（公告）日：2009-11-03