methyl 1-[(4-aminomethyl)benzoyloxy]-5-(propylthio)-2-benzimidazole-carbamate | 740075-69-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: methyl 1-[(4-aminomethyl)benzoyloxy]-5-(propylthio)-2-benzimidazole-carbamate
• 英文别名: [2-(Methoxycarbonylamino)-5-propylsulfanylbenzimidazol-1-yl]methyl 4-(aminomethyl)benzoate
• CAS: 740075-69-8
• 化学式: C₂₁H₂₄N₄O₄S
• 分子量: 428.512
• InChiKey: YLRCAGAESBSTNO-UHFFFAOYSA-N

物化性质

• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 1-[(4-aminomethyl)benzoyloxy]-5-(propylthio)-2-benzimidazole-carbamate 在 80 percent human plasma 作用下， 生成 阿苯达唑
  参考文献：
  名称：

  Synthesis and hydrolytic stability studies of albendazole carrier prodrugs

  摘要：

  Three N-acyl (2, 3, and 4), two N-alkoxycarbonyl (5 and 6), and one N-acyloxymethyl (7) derivatives of albendazole (1) have been prepared and assessed as potential prodrugs. The determination of the aqueous solubility and partition coefficient, as well as the conversion of these derivatives to 1 in buffer solution, human plasma, and pig liver esterase were determined. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00214-1
• 作为产物：
  描述：

  4-氨甲基苯甲酸 在 盐酸 、 四丁基硫酸氢铵 、 sodium hydride 、 碳酸氢钠 作用下， 以 乙醇 、 二氯甲烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 17.0h， 生成 methyl 1-[(4-aminomethyl)benzoyloxy]-5-(propylthio)-2-benzimidazole-carbamate
  参考文献：
  名称：

  Synthesis and hydrolytic stability studies of albendazole carrier prodrugs

  摘要：

  Three N-acyl (2, 3, and 4), two N-alkoxycarbonyl (5 and 6), and one N-acyloxymethyl (7) derivatives of albendazole (1) have been prepared and assessed as potential prodrugs. The determination of the aqueous solubility and partition coefficient, as well as the conversion of these derivatives to 1 in buffer solution, human plasma, and pig liver esterase were determined. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00214-1

文献信息

• Synthesis and hydrolytic stability studies of albendazole carrier prodrugs
  作者：Francisco Hernández-Luis、Alicia Hernández-Campos、Lilián Yépez-Mulia、Roberto Cedillo、Rafael Castillo

  DOI：10.1016/s0960-894x(01)00214-1

  日期：2001.6

  Three N-acyl (2, 3, and 4), two N-alkoxycarbonyl (5 and 6), and one N-acyloxymethyl (7) derivatives of albendazole (1) have been prepared and assessed as potential prodrugs. The determination of the aqueous solubility and partition coefficient, as well as the conversion of these derivatives to 1 in buffer solution, human plasma, and pig liver esterase were determined. (C) 2001 Elsevier Science Ltd. All rights reserved.