1-(3-carboxypropyl) 3-p-chlorophenylthiouree | 3738-97-4

• 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: 1-(3-carboxypropyl) 3-p-chlorophenylthiouree
• 英文别名: N-<4-Chlor-phenyl>-N'-<3-hydroxycarbonyl-propyl>-thioharnstoff；N-(4-Chlor-phenyl)-N'-(3-hydroxycarbonyl-propyl)-thioharnstoff；4-[(4-Chlorophenyl)carbamothioylamino]butanoic acid
• CAS: 3738-97-4
• 化学式: C₁₁H₁₃ClN₂O₂S
• 分子量: 272.755
• InChiKey: VTXYUEMNHUBDJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 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：
  93.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氯异硫氰酸苯酯 、 4-氨基丁酸 在 sodium carbonate 作用下， 以 丙酮 为溶剂， 反应 4.0h， 以66%的产率得到1-(3-carboxypropyl) 3-p-chlorophenylthiouree
  参考文献：
  名称：

  Synthèse, activité antiparasitaire et antifongique de thiouréines à motif aminoacide

  摘要：

  Sixteen compounds, close to aryl or aralkylthioureines, with a beta-alanine or gamma-aminobutyric acid chain, were synthesized for in vitro screening towards 3 types of nematodes, 8 classes of opportunist germs and 34 classes of yeasts. Their anthelminthic activity was very weak, but on the other hand, 7 compounds were effective against yeasts and/or opportunist germs, with an MIC < 50-mu-g/ml.

  DOI：

  10.1016/0223-5234(91)90122-4

文献信息

• Synthèse, activité antiparasitaire et antifongique de thiouréines à motif aminoacide
  作者：R Caujolle、M Payard、PR Loiseau、H Amarouch、MD Linas、JP Séguéla、C Bories、PM Loiseau、P Gayral

  DOI：10.1016/0223-5234(91)90122-4

  日期：1991.10

  Sixteen compounds, close to aryl or aralkylthioureines, with a beta-alanine or gamma-aminobutyric acid chain, were synthesized for in vitro screening towards 3 types of nematodes, 8 classes of opportunist germs and 34 classes of yeasts. Their anthelminthic activity was very weak, but on the other hand, 7 compounds were effective against yeasts and/or opportunist germs, with an MIC < 50-mu-g/ml.