4-(4-Methoxy-phenyl)-3-methyl-2-phenyl-4,5-dihydro-3H-benzo[d][1,3]diazepine | 88057-59-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(4-Methoxy-phenyl)-3-methyl-2-phenyl-4,5-dihydro-3H-benzo[d][1,3]diazepine
• 英文别名: 4-(4-Methoxyphenyl)-3-methyl-2-phenyl-4,5-dihydro-1,3-benzodiazepine
• CAS: 88057-59-4
• 化学式: C₂₃H₂₂N₂O
• 分子量: 342.44
• InChiKey: IFNDDKOQSXJXPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  24.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-[2-(4-Methoxy-phenyl)-2-methylamino-ethyl]-phenylamine 、 alkaline earth salt of/the/ methylsulfuric acid 在 acid 作用下， 以79%的产率得到4-(4-Methoxy-phenyl)-3-methyl-2-phenyl-4,5-dihydro-3H-benzo[d][1,3]diazepine
  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.