N-[(1R,3S)-3-Acetylamino-1,3-bis-(2,6-dichloro-4-methoxy-phenyl)-propyl]-acetamide | 178327-87-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-[(1R,3S)-3-Acetylamino-1,3-bis-(2,6-dichloro-4-methoxy-phenyl)-propyl]-acetamide
• CAS: 178327-87-2
• 化学式: C₂₁H₂₂Cl₄N₂O₄
• 分子量: 508.229
• InChiKey: APJHBLZEGGFHGN-KDURUIRLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.76
• 重原子数：
  31.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  76.66
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-[(1R,3S)-3-Acetylamino-1,3-bis-(2,6-dichloro-4-methoxy-phenyl)-propyl]-acetamide 在 盐酸 、 三溴化硼 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 meso-1,3-Bis(2,6-dichloro-4-hydroxyphenyl)propane-1,3-diamine dihydrobromide
  参考文献：
  名称：

  1,3-Diphenylpropane-1,3-diamines, X: Synthesis and biochemical evaluation of highly substituted 1,3-diphenylpropane-1,3-diamines and preparation of their Pt(II) complexes

  摘要：

  The ligands of the title complexes 1 and 2 were prepared from the pertinent chalcone 5 and hydrazine hydrate, followed by N-N cleavage. The estrogenic activity of the diamines 11 and 12 was determined by measuring the RBA values (calf uterine cytosol) and by a luciferase test in MCF 7-2a cells. The compounds are by far less active than Schonenberger's most active compound ([meso-1,2-bis(2,6-dichloro-4-hydroxyphenyl)ethane-1,2-diamine]dichloro-platinum(II), 3).

  DOI：

  10.1007/bf00807580
• 作为产物：
  描述：

  trans-1,3-bis-(2,6-dichloro-4-methoxyphenyl)-2-propen-1-one 在 吡啶 、 盐酸 、 一水合肼 、 锌 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 反应 22.0h， 生成 N-[(1R,3S)-3-Acetylamino-1,3-bis-(2,6-dichloro-4-methoxy-phenyl)-propyl]-acetamide
  参考文献：
  名称：

  1,3-Diphenylpropane-1,3-diamines, X: Synthesis and biochemical evaluation of highly substituted 1,3-diphenylpropane-1,3-diamines and preparation of their Pt(II) complexes

  摘要：

  The ligands of the title complexes 1 and 2 were prepared from the pertinent chalcone 5 and hydrazine hydrate, followed by N-N cleavage. The estrogenic activity of the diamines 11 and 12 was determined by measuring the RBA values (calf uterine cytosol) and by a luciferase test in MCF 7-2a cells. The compounds are by far less active than Schonenberger's most active compound ([meso-1,2-bis(2,6-dichloro-4-hydroxyphenyl)ethane-1,2-diamine]dichloro-platinum(II), 3).

  DOI：

  10.1007/bf00807580