N-Cyan-4-(2-methoxyphenyl)-1-piperazinthiocarbimidsaeure-methylester | 86123-52-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-Cyan-4-(2-methoxyphenyl)-1-piperazinthiocarbimidsaeure-methylester
• 英文别名: methyl N-cyano-4-(2-methoxyphenyl)piperazine-1-carboximidothioate
• CAS: 86123-52-6
• 化学式: C₁₄H₁₈N₄OS
• 分子量: 290.389
• InChiKey: NUEJYEZWHJSURX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  77.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-Cyan-4-(2-methoxyphenyl)-1-piperazinthiocarbimidsaeure-methylester 在 一水合肼 作用下， 以 乙腈 为溶剂， 生成 5-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-4H-[1,2,4]triazol-3-ylamine
  参考文献：
  名称：

  5-(1-Piperazinyl)-1H-1,2,4-triazol-3-amines as antihypertensive agents

  摘要：

  A series of 5-(1-piperazinyl)-1H-1,2,4-triazol-3-amines was synthesized and screened for antihypertensive and diuretic activity in spontaneously hypertensive rats (SHR). One compound, 5-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-1H-1,2,4-triazol-3-am ine (8), was selected to define the mechanism of its antihypertensive activity. Studies in SHR suggest ganglionic blocking activity. Short-lived antihypertensive activity was observed in conscious renal hypertensive dogs.

  DOI：

  10.1021/jm00123a013
• 作为产物：
  描述：

  1-(2-甲氧苯基)哌嗪 、 N-氰亚胺基-S,S-二硫代碳酸二甲酯 以 乙腈 为溶剂， 生成 N-Cyan-4-(2-methoxyphenyl)-1-piperazinthiocarbimidsaeure-methylester
  参考文献：
  名称：

  5-(1-Piperazinyl)-1H-1,2,4-triazol-3-amines as antihypertensive agents

  摘要：

  A series of 5-(1-piperazinyl)-1H-1,2,4-triazol-3-amines was synthesized and screened for antihypertensive and diuretic activity in spontaneously hypertensive rats (SHR). One compound, 5-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-1H-1,2,4-triazol-3-am ine (8), was selected to define the mechanism of its antihypertensive activity. Studies in SHR suggest ganglionic blocking activity. Short-lived antihypertensive activity was observed in conscious renal hypertensive dogs.

  DOI：

  10.1021/jm00123a013

文献信息

• Ried, Walter; Broft, Gert W.; Bats, Jan W., Chemische Berichte, 1983, vol. 116, # 4, p. 1547 - 1563
  作者：Ried, Walter、Broft, Gert W.、Bats, Jan W.

  DOI：——

  日期：——