α-(2-phenoxyethyl)-4-phenyl-1-piperazineethanol | 127331-76-4

• 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: α-(2-phenoxyethyl)-4-phenyl-1-piperazineethanol
• 英文别名: 4-Phenoxy-1-(4-phenylpiperazin-1-yl)butan-2-ol
• CAS: 127331-76-4
• 化学式: C₂₀H₂₆N₂O₂
• 分子量: 326.439
• InChiKey: WDRXGVCMLPDECR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  2-(2-phenoxyethyl)oxirane 、 N-苯基哌嗪 以55%的产率得到α-(2-phenoxyethyl)-4-phenyl-1-piperazineethanol
  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

• 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：——
• The synthesis and antiallergy activity of 1-(aryloxy)-4-(4-arylpiperazinyl)-2-butanol derivatives
  作者：David A. Walsh、Ying Ho Chen、Jerry B. Green、Joseph C. Nolan、John M. Yanni

  DOI：10.1021/jm00168a044

  日期：1990.6

  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.