S-methyl-S-<2-<(pyrrolidinylcarbonyl)amino>-4,5-dimethoxyphenyl>sulfoximine | 68559-74-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: S-methyl-S-<2-<(pyrrolidinylcarbonyl)amino>-4,5-dimethoxyphenyl>sulfoximine
• 英文别名: S-methyl-S-[2-(pyrrolidinylcarbonylamino)-4,5-dimethoxyphenyl]sulfoximine；S-methyl-S-{2-[(pyrrolidinylcarbonyl)amino]-4,5-dimethoxyphenyl}sulfoximine；N-[4,5-dimethoxy-2-(methylsulfonimidoyl)phenyl]pyrrolidine-1-carboxamide
• CAS: 68559-74-0
• 化学式: C₁₄H₂₁N₃O₄S
• 分子量: 327.404
• InChiKey: SWTOFAFYHFMIMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  100
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  S-methyl-S-<2-<(pyrrolidinylcarbonyl)amino>-4,5-dimethoxyphenyl>sulfoximine 以 various solvent(s) 为溶剂， 反应 3.0h， 以91%的产率得到6,7-dimethoxy-1-methyl-1H-1,2,4-benzothiadiazin-3-(4H)-one 1-oxide
  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：

  N-(pyrrolidinylcarbonyl)-2-(methylthio)-4,5-dimethoxyaniline 在 2,4,6-三甲基苯磺酰肼 、 双氧水 作用下， 以 溶剂黄146 、 乙腈 为溶剂， 反应 68.0h， 生成 S-methyl-S-<2-<(pyrrolidinylcarbonyl)amino>-4,5-dimethoxyphenyl>sulfoximine
  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

• 1-Substituted-3-amino-6,7-dialkoxy-1H-1,2,4-benzothiadiazine-1-oxides
  申请人：Eli Lilly and Company

  公开号：US04171361A1

  公开（公告）日：1979-10-16

  1-Substituted-3-amino-6,7-dialkoxy-1H-1,2,4-benzothiadiazine-1-oxides, useful as hypotensive agents.

  1-取代-3-氨基-6,7-二烷氧基-1H-1,2,4-苯并噻二嗪-1-氧化物，可用作降压剂。
• 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：——
• US4171361A
  申请人：——

  公开号：US4171361A

  公开（公告）日：1979-10-16
• Synthesis and blood pressure lowering activity of 3-(substituted-amino)-1,2,4-benzothiadiazine 1-oxide derivatives
  作者：Robert D. Dillard、Terence T. Yen、Paul Stark、Donald E. Pavey

  DOI：10.1021/jm00181a003

  日期：1980.7

  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.