1-[(4-Butyl-phenyl)-(3-methyl-isothiazol-5-yl)-methyl]-4-methyl-piperazine | 90670-97-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-[(4-Butyl-phenyl)-(3-methyl-isothiazol-5-yl)-methyl]-4-methyl-piperazine
• 英文别名: 5-[(4-Butylphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
• CAS: 90670-97-6
• 化学式: C₂₀H₂₉N₃S
• 分子量: 343.536
• InChiKey: YJQPQRFYOSXHGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-N-丁基苯甲醛 在 sodium metabisulfite 、 正丁基锂 、 氯化亚砜 、 sodium carbonate 作用下， 以 甲苯 为溶剂， 反应 16.5h， 生成 1-[(4-Butyl-phenyl)-(3-methyl-isothiazol-5-yl)-methyl]-4-methyl-piperazine
  参考文献：
  名称：

  Heterocyclic analogs of chlorcyclizine with potent hypolipidemic activity

  摘要：

  A series of [alpha-(heterocyclyl)benzyl]piperazines was synthesized and their effect of reducing serum cholesterol and triglyceride levels in the rat was evaluated. A systematic exploration of the structure-activity relationships led to the synthesis of (R,S)-(3,5-dimethylisoxazol-4-yl)[4-(1-methylethyl)phenyl] (4-methylpiperazin-1-yl)methane dihydrochloride (M&B 31 426), which had potent activity in lowering serum lipid levels at a daily oral dose of 2 mg/kg and was 100 times more potent than clofibrate.

  DOI：

  10.1021/jm00376a002

文献信息

• Heterocyclic analogs of chlorcyclizine with potent hypolipidemic activity
  作者：Michael J. Ashton、Alan Ashford、Anthony H. Loveless、David Riddell、John Salmon、Gregory V. W. Stevenson

  DOI：10.1021/jm00376a002

  日期：1984.10

  A series of [alpha-(heterocyclyl)benzyl]piperazines was synthesized and their effect of reducing serum cholesterol and triglyceride levels in the rat was evaluated. A systematic exploration of the structure-activity relationships led to the synthesis of (R,S)-(3,5-dimethylisoxazol-4-yl)[4-(1-methylethyl)phenyl] (4-methylpiperazin-1-yl)methane dihydrochloride (M&B 31 426), which had potent activity in lowering serum lipid levels at a daily oral dose of 2 mg/kg and was 100 times more potent than clofibrate.