3-isopropylthio-3-[α-(methoxycarbonyl)benzyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one | 1125691-76-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: 3-isopropylthio-3-[α-(methoxycarbonyl)benzyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
• 英文别名: 3-Isopropylthio-3-[-(methoxycarbonyl)benzyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one；methyl 2-[1-(4-methoxyphenyl)-2-oxo-4-phenyl-3-propan-2-ylsulfanylazetidin-3-yl]-2-phenylacetate
• CAS: 1125691-76-0
• 化学式: C₂₈H₂₉NO₄S
• 分子量: 475.609
• InChiKey: POLSFWUEIOBMKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  81.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  异丙硫醇 、 (Z)-3-<α-(Methoxycarbonyl)benzyliden>-(4-methoxyphenyl)-4-phenyl-2-azetidinon 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 0.42h， 以58%的产率得到3-isopropylthio-3-[α-(methoxycarbonyl)benzyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
  参考文献：
  名称：

  β-Lactam derivatives as potential anti-cancer compounds

  摘要：

  A number of 1,4-diaryl-3-methylene substituted beta-lactams, the addition products obtained from their reactions with N-, S-, and C-nucleophiles, and diverse related compounds were prepared, and a selection of 43 compounds was screened in preliminary tests as anti-tumor compounds by using 4 or 5 human cancer cell lines of diverse origins. Twelve compounds were highly active against all cell lines, 6 showed low activity, 12 no activity, and 13 exhibited a selective activity against a human small cell lung carcinoma cell line.

  DOI：

  10.1007/s00706-007-0838-4