1-(3,5-dimethyl-phenoxy)-4-(4-phenyl-piperazin-1-yl)-butan-2-ol | 59747-51-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(3,5-dimethyl-phenoxy)-4-(4-phenyl-piperazin-1-yl)-butan-2-ol
• 英文别名: 1-(3,5-dimethylphenoxy)-4-(4-phenyl-1-piperazinyl)-2-butanol；1-(3,5-Dimethylphenoxy)-4-(4-phenylpiperazin-1-yl)butan-2-ol
• CAS: 59747-51-2
• 化学式: C₂₂H₃₀N₂O₂
• 分子量: 354.492
• InChiKey: KFTWLHKYTNCMQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  35.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,5-二甲基苯酚 在 sodium hydroxide 、 sodium carbonate 、 potassium iodide 作用下， 以 正丁醇 为溶剂， 反应 48.25h， 生成 1-(3,5-dimethyl-phenoxy)-4-(4-phenyl-piperazin-1-yl)-butan-2-ol
  参考文献：
  名称：

  The synthesis and antiallergy activity of 1-(aryloxy)-4-(4-arylpiperazinyl)-2-butanol derivatives

  摘要：

  A series of 1-(aryloxy)-4-(4-arylpiperazinyl)-2-butanol derivatives were prepared and evaluated for antiallergy activity in the passive foot anaphylaxis (PFA) assay in rats. Twenty-seven derivatives had activity equal to or greater than the parent, alpha-(phenoxymethyl)-4-phenyl-1-piperazinepropanol. Six derivatives that possessed greater activity in the PFA than the parent compound were then tested in the guinea pig anaphylaxis (GPA) assay. Five of the derivatives were more potent than the parent (PD50 = 40 mg/kg) in the GPA with alpha-[(4-fluorophenoxy)methyl]-4-(4-fluorophenyl)-1-piperazinepropan ol (PD50 = 3 mg/kg) having the greatest potency.

  DOI：

  10.1021/jm00168a044

文献信息

• 1-Aryloxy-4-[(4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents
  申请人：A.H. ROBINS COMPANY, INCORPORATED

  公开号：EP0269383A2

  公开（公告）日：1988-06-01

  1-Aryloxy-4-[(4-aryl)-1-piperazinyl]-2-butanols of the formula: wherein Ar is selected from or 2, 3 or 4-pyridyl); X and Xʹ are selected from the group of hydrogen, loweralkyl, loweralkoxy, halogen, tri­fluoromethyl, nitro, acetylamino, phenyl or acetyl, cyano, aminocarbonyl, carboxy, or loweralkyl carboxylic acid ester; Y, Yʹ, Yʺ and Xʺ are selected from the same group as X and Xʹ except phenyl and substituted phenyl are excluded; Z and Zʹ are selected from hydrogen, loweralkyl or loweralkoxy and the pharmaceutically acceptable salt thereof are useful in inhibiting or combatting allergic response associated with anaphylactic sensitivity in animals and humans.

  式中的 1-芳氧基-4-[(4-芳基)-1-哌嗪基]-2-丁醇： 其中 Ar 选自 或 2、3 或 4-吡啶基）； X 和 Xʹ 选自氢、低级烷基、低级烷氧基、卤素、三氟甲基、硝基、乙酰氨基、苯基或 Y、Yʹ、Yʺ和 Xʺ选自与 X 和 Xʹ相同的组，但不包括苯基和取代苯基；Z 和 Zʹ选自氢、低级烷基或低级烷氧基及其药学上可接受的盐，可用于抑制或对抗动物和人类与过敏反应相关的过敏反应。
• LUNSFORID, CARL D.;CHEN, YING-HO
  作者：LUNSFORID, CARL D.、CHEN, YING-HO

  DOI：——

  日期：——
• WALSH, DAVID A.;YANNI, JOHN M.
  作者：WALSH, DAVID A.、YANNI, JOHN M.

  DOI：——

  日期：——
• WALSH, DAVID A.;CHEN, YING-HO;GREEN, JERRY B.;NOLAN, JOSEPH C.;YANNI, JOH+, J. MED. CHEM., 33,(1990) N, C. 1823-1827
  作者：WALSH, DAVID A.、CHEN, YING-HO、GREEN, JERRY B.、NOLAN, JOSEPH C.、YANNI, JOH+

  DOI：——

  日期：——
• ——
  作者：LUNSFORD C. D.、 CHEN YING-HO

  DOI：——

  日期：——