1-methyl-1-oxo-4H-1λ⁶-[1,3]dioxolo[4',5':4,5]benzo[1,2-e][1,2,4]thiadiazin-3-one | 68560-15-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻二嗪
• 英文名称: 1-methyl-1-oxo-4H-1λ⁶-[1,3]dioxolo[4',5':4,5]benzo[1,2-e][1,2,4]thiadiazin-3-one
• 英文别名: 10-methyl-10-oxo-4,6-dioxa-10λ6-thia-11,13-diazatricyclo[7.4.0.03,7]trideca-1,3(7),8,10-tetraen-12-one
• CAS: 68560-15-6
• 化学式: C₉H₈N₂O₄S
• 分子量: 240.24
• InChiKey: CLBAPJYZVAGTRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.42
• 重原子数：
  16.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  76.99
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-methyl-1-oxo-4H-1λ⁶-[1,3]dioxolo[4',5':4,5]benzo[1,2-e][1,2,4]thiadiazin-3-one 在 三氯氧磷 作用下， 以 水 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Synthesis and blood pressure lowering activity of 3-(substituted-amino)-1,2,4-benzothiadiazine 1-oxide derivatives

  摘要：

  A series of (substituted amino)-1,2,4-benzothiadiazine 1-oxides has been synthesized and most members of the series have been shown to have blood pressure lowering effects in normotensive rabbits and in spontaneously hypertensive rats. The most active member of the series was 3-[4-(2-furoyl)-1-piperazinyl]-6,7-dimethoxy-1-methyl-1H-1,2,4-benzothiadiazine 1-oxide hydrochloride. This compound in animal tests was equipotent to the known antihypertensive Prazosin.

  DOI：

  10.1021/jm00181a003
• 作为产物：
  描述：

  2-methylthio-4,5-methylenedioxynitrobenzene 在 盐酸 、 tin 、 2,4,6-三甲基苯磺酰肼 、 双氧水 、 N,N-二甲基苯胺 作用下， 以 溶剂黄146 、 甲苯 、 乙腈 为溶剂， 反应 96.5h， 生成 1-methyl-1-oxo-4H-1λ⁶-[1,3]dioxolo[4',5':4,5]benzo[1,2-e][1,2,4]thiadiazin-3-one
  参考文献：
  名称：

  Synthesis and blood pressure lowering activity of 3-(substituted-amino)-1,2,4-benzothiadiazine 1-oxide derivatives

  摘要：

  A series of (substituted amino)-1,2,4-benzothiadiazine 1-oxides has been synthesized and most members of the series have been shown to have blood pressure lowering effects in normotensive rabbits and in spontaneously hypertensive rats. The most active member of the series was 3-[4-(2-furoyl)-1-piperazinyl]-6,7-dimethoxy-1-methyl-1H-1,2,4-benzothiadiazine 1-oxide hydrochloride. This compound in animal tests was equipotent to the known antihypertensive Prazosin.

  DOI：

  10.1021/jm00181a003

文献信息

• DILLARD R. D.; YEN T. T.; STARK P.; PAVEY D. E., J. MED. CHEM., 1980, 23, NO 7, 717-722
  作者：DILLARD R. D.、 YEN T. T.、 STARK P.、 PAVEY D. E.

  DOI：——

  日期：——