4-(4-Phenylpiperazin-1-yl)butanethioamide | 197434-94-9

• 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: 4-(4-Phenylpiperazin-1-yl)butanethioamide
• CAS: 197434-94-9
• 化学式: C₁₄H₂₁N₃S
• mdl: MFCD09930671
• 分子量: 263.407
• InChiKey: AJEVZTHSTKHGJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-溴-1-四氢萘酮 、 4-(4-Phenylpiperazin-1-yl)butanethioamide 以 乙醇 为溶剂， 生成 2-[3-(4-phenyl-piperazin-1-yl)-propyl]-4,5-dihydronaphtho[1,2-d]thiazole
  参考文献：
  名称：

  Synthesis of arylpiperazines with a terminal naphthothiazole group and their evaluation on 5-HT, DA and a receptor

  摘要：

  The synthesis, affinities for 5-HT1A, 5-HT2, D-1, D-2, alpha(1) and alpha(2) receptors and structure-activity relationships are described for a series of arylpiperazines substituted on the N-4 atom with an omega-(2-naphthothiazole)alkyl chain. The best affinity for 5-HT1A receptors was obtained for 1-(2-methoxyphenyl)piperazine derivatives with IC50 values in the range 3.2-12 nM; however, for all the reported compounds mixed 5-HT1A/D-2/alpha affinities were observed.

  DOI：

  10.1016/s0223-5234(97)88916-7
• 作为产物：
  描述：

  4-(4-Phenyl-piperazin-1-yl)-butyramide 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 4-(4-Phenylpiperazin-1-yl)butanethioamide
  参考文献：
  名称：

  Synthesis of arylpiperazines with a terminal naphthothiazole group and their evaluation on 5-HT, DA and a receptor

  摘要：

  The synthesis, affinities for 5-HT1A, 5-HT2, D-1, D-2, alpha(1) and alpha(2) receptors and structure-activity relationships are described for a series of arylpiperazines substituted on the N-4 atom with an omega-(2-naphthothiazole)alkyl chain. The best affinity for 5-HT1A receptors was obtained for 1-(2-methoxyphenyl)piperazine derivatives with IC50 values in the range 3.2-12 nM; however, for all the reported compounds mixed 5-HT1A/D-2/alpha affinities were observed.

  DOI：

  10.1016/s0223-5234(97)88916-7

文献信息

• Synthesis of arylpiperazines with a terminal naphthothiazole group and their evaluation on 5-HT, DA and a receptor
  作者：R Perrone、F Berardi、NA Colabufo、V Tortorella、MG Fornaretto、C Caccia、RA McArthur

  DOI：10.1016/s0223-5234(97)88916-7

  日期：1997.9

  The synthesis, affinities for 5-HT1A, 5-HT2, D-1, D-2, alpha(1) and alpha(2) receptors and structure-activity relationships are described for a series of arylpiperazines substituted on the N-4 atom with an omega-(2-naphthothiazole)alkyl chain. The best affinity for 5-HT1A receptors was obtained for 1-(2-methoxyphenyl)piperazine derivatives with IC50 values in the range 3.2-12 nM; however, for all the reported compounds mixed 5-HT1A/D-2/alpha affinities were observed.