1-p-Methoxybenzoyl-2-methylthiosemicarbazid | 57295-79-1

• 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: 1-p-Methoxybenzoyl-2-methylthiosemicarbazid
• 英文别名: 1-[(4-Methoxybenzoyl)amino]-1-methylthiourea；1-[(4-methoxybenzoyl)amino]-1-methylthiourea
• CAS: 57295-79-1
• 化学式: C₁₀H₁₃N₃O₂S
• 分子量: 239.298
• InChiKey: ISJJXAIUPMEGLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  99.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-p-Methoxybenzoyl-2-methylthiosemicarbazid 在 phosphate buffer 、 碳酸氢钠 作用下， 生成 (6R,7R)-7-Amino-3-[5-(4-methoxy-phenyl)-2-methyl-2H-[1,2,4]triazol-3-ylsulfanylmethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  参考文献：
  名称：

  Synthesis and structure—activity relationship of C-3 substituted triazolylthiomethyl cephems

  摘要：

  A series of C-3 substituted triazolylthiomethyl cephems with an aminothiazolemethoxyiminoacetamido side chain at C-7 were synthesized and tested for antimicrobial activity against clinically-relevant isolates. The compound with 3-pyridyl at C-5 and methyl at N-4 of the triazole moiety exhibited good antibacterial activity against both Gram-positive and Gram-negative bacteria, with the exception of pseudomonas spp against which none of the derivatives exhibited favorable activity.

  DOI：

  10.1016/0223-5234(96)80367-9
• 作为产物：
  描述：

  2-甲基氨基硫脲 、 对甲氧基苯甲酰氯 在 吡啶 作用下， 生成 1-p-Methoxybenzoyl-2-methylthiosemicarbazid
  参考文献：
  名称：

  Synthesis and structure—activity relationship of C-3 substituted triazolylthiomethyl cephems

  摘要：

  A series of C-3 substituted triazolylthiomethyl cephems with an aminothiazolemethoxyiminoacetamido side chain at C-7 were synthesized and tested for antimicrobial activity against clinically-relevant isolates. The compound with 3-pyridyl at C-5 and methyl at N-4 of the triazole moiety exhibited good antibacterial activity against both Gram-positive and Gram-negative bacteria, with the exception of pseudomonas spp against which none of the derivatives exhibited favorable activity.

  DOI：

  10.1016/0223-5234(96)80367-9

文献信息

• Synthesis and structure—activity relationship of C-3 substituted triazolylthiomethyl cephems
  作者：R Singh、C Fiakpui、J Galpin、J Stewart、MP Singh、RG Micetich

  DOI：10.1016/0223-5234(96)80367-9

  日期：1996.1

  A series of C-3 substituted triazolylthiomethyl cephems with an aminothiazolemethoxyiminoacetamido side chain at C-7 were synthesized and tested for antimicrobial activity against clinically-relevant isolates. The compound with 3-pyridyl at C-5 and methyl at N-4 of the triazole moiety exhibited good antibacterial activity against both Gram-positive and Gram-negative bacteria, with the exception of pseudomonas spp against which none of the derivatives exhibited favorable activity.