2-(5-Tetrazolyl)-phenoxathiin-10,10-dioxid | 51762-60-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 2-(5-Tetrazolyl)-phenoxathiin-10,10-dioxid
• 英文别名: 2-(5-tetrazolyl)phenoxathiin-10,10-dioxide；5-(10,10-dioxo-10H-10λ⁶-phenoxathiin-2-yl)-1(2)H-tetrazole；2-(2H-tetrazol-5-yl)phenoxathiine 10,10-dioxide
• CAS: 51762-60-8
• 化学式: C₁₃H₈N₄O₃S
• 分子量: 300.298
• InChiKey: OHGRDNNIJSLFSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 2-(5-Tetrazolyl)-phenoxathiin-10,10-dioxid 反应 0.5h， 生成 2-(10,10-Dioxo-10H-10λ⁶-phenoxathiin-2-yl)-5-methyl-[1,3,4]oxadiazole
  参考文献：
  名称：

  Selective Inhibitors of Monoamine Oxidase. 3. Structure−Activity Relationship of Tricyclics Bearing Imidazoline, Oxadiazole, or Tetrazole Groups

  摘要：

  Inhibition of monoamine oxidase A (MAO A) is believed to cause antidepressant and possibly antianxiety effects. The previous paper had developed structure-activity relationships (SAR) for in vitro MAO A inhibition by tricyclic N-arylamides.(1) It is shown in this paper that the same in vitro SAR can be carried over to tricyclics whose potentially toxic amide function is replaced by an appropriately substituted imidazoline, a 1,2,4- or 1,3,4-oxadiazole, or an alkylated tetrazole moiety. Dialysis of the inhibitor from the enzyme was used as a measure of reversibility which correlates with a low ability to cause a blood pressure rise with ingested tyramine (''cheese effect'').

  DOI：

  10.1021/jm950595m

文献信息

• US4145350A
  申请人：——

  公开号：US4145350A

  公开（公告）日：1979-03-20
• US4177257A
  申请人：——

  公开号：US4177257A

  公开（公告）日：1979-12-04