(+/-)-4,5-dihydro-2-(4-morpholinyl)-4-phenyl-3H-1,3-benzodiazepine | 88057-53-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: (+/-)-4,5-dihydro-2-(4-morpholinyl)-4-phenyl-3H-1,3-benzodiazepine
• 英文别名: 4-(4-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)morpholine
• CAS: 88057-53-8
• 化学式: C₁₉H₂₁N₃O
• 分子量: 307.395
• InChiKey: KAKNXOXVFSLGCV-UHFFFAOYSA-N

物化性质

• 沸点：
  456.2±55.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  36.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  AR-R15006 在 盐酸 作用下， 以 乙醇 、 乙二醇甲醚 为溶剂， 反应 25.0h， 生成 (+/-)-4,5-dihydro-2-(4-morpholinyl)-4-phenyl-3H-1,3-benzodiazepine
  参考文献：
  名称：

  (.+-.)-4-Aryl-4,5-dihydro-3H-1,3-benzodiazepines. 3. 2-Phenyl and 2-amino analogs as potential antihypertensive agents

  摘要：

  A series of 2-phenyl- and 2-amino-4-aryl-4,5-dihydro-3H-1,3-benzodiazepines was prepared and submitted for broad biological screening, including evaluation for potential antihypertensive activity. Compound 4a [(+/-)-4,5-dihydro-2,4-diphenyl-3-methyl-3H-1,3-benzodiazepine hydrochloride] was the most active member of the series in the spontaneously hypertensive rat (SHR) model, producing a 56 mmHg decrease in systolic blood pressure at an oral screening dose of 50 mg/kg. The synthesis of 4a analogues containing nuclear substituents in the 4-phenyl moiety resulted in a marked decrease of antihypertensive activity. It was not possible to improve on the antihypertensive properties of 4a through further synthetic modifications.

  DOI：

  10.1021/jm00369a029

文献信息

• (.+-.)-4-Aryl-4,5-dihydro-3H-1,3-benzodiazepines. 3. 2-Phenyl and 2-amino analogs as potential antihypertensive agents
  作者：Linda L. Setescak、Frederick W. Dekow、Jan M. Kitzen、Lawrence L. Martin

  DOI：10.1021/jm00369a029

  日期：1984.3

  A series of 2-phenyl- and 2-amino-4-aryl-4,5-dihydro-3H-1,3-benzodiazepines was prepared and submitted for broad biological screening, including evaluation for potential antihypertensive activity. Compound 4a [(+/-)-4,5-dihydro-2,4-diphenyl-3-methyl-3H-1,3-benzodiazepine hydrochloride] was the most active member of the series in the spontaneously hypertensive rat (SHR) model, producing a 56 mmHg decrease in systolic blood pressure at an oral screening dose of 50 mg/kg. The synthesis of 4a analogues containing nuclear substituents in the 4-phenyl moiety resulted in a marked decrease of antihypertensive activity. It was not possible to improve on the antihypertensive properties of 4a through further synthetic modifications.