4-(2-(benzylamino)propyl)phenol | 1122063-39-1

• 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-(2-(benzylamino)propyl)phenol
• 英文别名: [(1R)-N-benzyl-2-(4-hydroxyphenyl)-1-methylethyl]-amine；4-[(2R)-2-(benzylamino)propyl]phenol
• CAS: 1122063-39-1
• 化学式: C₁₆H₁₉NO
• 分子量: 241.333
• InChiKey: OUKACZRGSBUQSG-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(2-(benzylamino)propyl)phenol 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 N-(5-(2-(benzyl(1-(4-((6-(4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,6,7,8,8a-hexahydrophthalazin-2(1H)-yl)hexyl)oxy)phenyl)propan-2-yl)amino)-1-hydroxyethyl)-2-(benzyloxy)phenyl)formamide
  参考文献：
  名称：

  Design, synthesis and evaluation of dual pharmacology β2-adrenoceptor agonists and PDE4 inhibitors

  摘要：

  A novel series of formoterol-phthalazinone hybrids were synthesised and evaluated as dual pharmacology beta(2)-adrenoceptor agonists and PDE4 inhibitors. Most of the hybrids displayed high beta(2)-adrenoceptor agonist and moderate PDE4 inhibitory activities. The most potent compound, (R, R)-11c, exhibited agonist (EC50 = 1.05 nM, pEC(50) = 9.0) and potent PDE4B2 inhibitory activities (IC50 = 0.092 mu M). (C) 2013 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2013.11.028
• 作为产物：
  描述：

  对甲氧基苯基丙酮 在 platinum on carbon 、 三溴化硼 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 4-(2-(benzylamino)propyl)phenol
  参考文献：
  名称：

  Design, synthesis and evaluation of dual pharmacology β2-adrenoceptor agonists and PDE4 inhibitors

  摘要：

  A novel series of formoterol-phthalazinone hybrids were synthesised and evaluated as dual pharmacology beta(2)-adrenoceptor agonists and PDE4 inhibitors. Most of the hybrids displayed high beta(2)-adrenoceptor agonist and moderate PDE4 inhibitory activities. The most potent compound, (R, R)-11c, exhibited agonist (EC50 = 1.05 nM, pEC(50) = 9.0) and potent PDE4B2 inhibitory activities (IC50 = 0.092 mu M). (C) 2013 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2013.11.028

文献信息

• Acetamide Stereoisomer
  申请人：Abolin Craig R.

  公开号：US20090060922A1

  公开（公告）日：2009-03-05

  The compound of formula (I) is a water-stable, long acting β 2 -selective adrenoceptor agonist useful as a bronchodilator in the treatment of bronchoconstriction associated with reversible obstructive airways diseases and the like.

  化学式（I）的化合物是一种水稳定的、长效的β2选择性肾上腺素受体激动剂，可用作支气管扩张剂，用于治疗与可逆性阻塞性气道疾病等相关的支气管痉挛。
• Carbamate Stereoisomer
  申请人：Abolin Craig R.

  公开号：US20090060917A1

  公开（公告）日：2009-03-05

  The compound of formula (I) is a water-stable, long acting β 2 -selective adrenoceptor agonist useful as a bronchodilator in the treatment of bronchoconstriction associated with reversible obstructive airways diseases and the like.

  化学式（I）的化合物是一种稳定性好、长效的β2选择性肾上腺素受体激动剂，可用作治疗与可逆性阻塞性气道疾病相关的支气管痉挛的支气管扩张剂。
• ACETAMIDE STEREOISOMER
  申请人：SUNOVION PHARMACEUTICALS INC.

  公开号：US20150225334A1

  公开（公告）日：2015-08-13

  The compound of formula (I) is a water-stable, long acting β 2 -selective adrenoceptor agonist useful as a bronchodilator in the treatment of bronchoconstriction associated with reversible obstructive airways diseases and the like. Processes for making the compound of formula (I), as well as related intermediates, are disclosed.

  式(I)的化合物是一种水稳定的长效β2选择性肾上腺素受体激动剂，可用作支气管扩张剂，用于治疗可逆性阻塞性气道疾病等引起的支气管收缩。公开了制备式(I)化合物及相关中间体的方法。
• US7718822B2
  申请人：——

  公开号：US7718822B2

  公开（公告）日：2010-05-18
• US8173829B2
  申请人：——

  公开号：US8173829B2

  公开（公告）日：2012-05-08