2-(3-methyl-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-phenyl-N-propan-2-ylacetamide | 1027150-97-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 2-(3-methyl-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-phenyl-N-propan-2-ylacetamide
• CAS: 1027150-97-5
• 化学式: C₂₇H₂₇N₃O₃
• 分子量: 441.53
• InChiKey: DMHKLVAKRRADKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  60.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3-methyl-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-phenyl-N-propan-2-ylacetamide 在 二苯基膦酰羟胺 、 双(三甲基硅烷基)氨基钾 作用下， 生成 2-(3-amino-3-methyl-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-phenyl-N-propan-2-ylacetamide
  参考文献：
  名称：

  3-[2-(N-Phenylacetamide)]-1,5-benzodiazepines:  Orally Active, Binding Selective CCK-A Agonists

  摘要：

  A series of modifications were made to the C-3 substituent of the 1,5-benzodiazepine CCK-A agonist 1. Replacement of the inner urea NH and addition of a methyl group to generate a C-3 quaternary carbon resulted in acetamide 6, which showed CCK-A receptor binding selectivity and sub-micromolar agonist activity in vitro. Benzodiazepine 6 was active in an in. vivo mouse gallbladder emptying assay and represents a novel orally active, binding selective CCK-A agonist.

  DOI：

  10.1021/jm960205b
• 作为产物：
  描述：

  2-bromo-N-isopropyl-N-phenyl-acetamide 在 sodium hydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.83h， 生成 2-(3-methyl-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-phenyl-N-propan-2-ylacetamide
  参考文献：
  名称：

  3-[2-(N-Phenylacetamide)]-1,5-benzodiazepines:  Orally Active, Binding Selective CCK-A Agonists

  摘要：

  A series of modifications were made to the C-3 substituent of the 1,5-benzodiazepine CCK-A agonist 1. Replacement of the inner urea NH and addition of a methyl group to generate a C-3 quaternary carbon resulted in acetamide 6, which showed CCK-A receptor binding selectivity and sub-micromolar agonist activity in vitro. Benzodiazepine 6 was active in an in. vivo mouse gallbladder emptying assay and represents a novel orally active, binding selective CCK-A agonist.

  DOI：

  10.1021/jm960205b