Methyl 3-[(4-nitrophenyl)carbamothioylamino]propanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Methyl 3-[(4-nitrophenyl)carbamothioylamino]propanoate
• 化学式: C₁₁H₁₃N₃O₄S
• 分子量: 283.308
• InChiKey: LODDNSJYOMMWIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氨基丙酸甲酯盐酸盐 、 异硫代氰基4-硝基苯酯 在 三乙胺 作用下， 以 水 、 丙酮 为溶剂， 反应 4.0h， 以38%的产率得到Methyl 3-[(4-nitrophenyl)carbamothioylamino]propanoate
  参考文献：
  名称：

  Synthesis, antifungal and nematocidal activities of thioureines with an aminoester sequence

  摘要：

  Twenty-three arylthioureines bearing beta-alanine or gamma-aminobutyric alkyl ester chains were synthesized for in vitro screening toward 44 strains of fungi and 2 genera of nematodes. The nitro derivatives were the most potent compounds against Aspergillus and Candida strains. Ester chains increase activity against the filarial worm Molinema dessetae. Twelve compounds have EC(50) < 40 mu g/ml. However, the anthelmintic potency is weak compared with tetramisole.

  DOI：

  10.1016/0223-5234(96)88299-7

文献信息

• Synthesis, antifungal and nematocidal activities of thioureines with an aminoester sequence
  作者：R Caujolle、H Amarouch、M Payard、PM Loiseau、C Bories、P Gayral、MD Linas、JP Seguela

  DOI：10.1016/0223-5234(96)88299-7

  日期：1995.1

  Twenty-three arylthioureines bearing beta-alanine or gamma-aminobutyric alkyl ester chains were synthesized for in vitro screening toward 44 strains of fungi and 2 genera of nematodes. The nitro derivatives were the most potent compounds against Aspergillus and Candida strains. Ester chains increase activity against the filarial worm Molinema dessetae. Twelve compounds have EC(50) < 40 mu g/ml. However, the anthelmintic potency is weak compared with tetramisole.