1-isopropyl-2-methylsulfanyl-1,5-dihydroimidazol-4-one hydrogen iodide | 1310682-70-2

• 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-isopropyl-2-methylsulfanyl-1,5-dihydroimidazol-4-one hydrogen iodide
• 英文别名: 1-isopropyl-2-methylsulfanyl-1,5-dihydro-imidazol-4-one hydroiodide；2-Methylsulfanyl-3-propan-2-yl-1,4-dihydroimidazol-3-ium-5-one;iodide
• CAS: 1310682-70-2
• 化学式: C₇H₁₂N₂OS*HI
• 分子量: 300.164
• InChiKey: VOMGZLLSTKYEAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.74
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  57.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-isopropyl-2-methylsulfanyl-1,5-dihydroimidazol-4-one hydrogen iodide 以 丙醇 、 水 为溶剂， 生成 N-(3,4-dichlorophenyl)-N'-(1-isopropyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)guanidine
  参考文献：
  名称：

  Synthesis and Antimalarial Activity of 2-Guanidino-4-oxoimidazoline Derivatives

  摘要：

  A series of 2-guanidino-4-oxoimidazoline (deoxo-IZ) derivatives was prepared and showed potent antimalarial activities in rodent and Rhesus models. Compound 8e, the most potent analogues of this series, is the first non-8-aminoqinoline antimalarial that demonstrated radical curative activity in non-human primate by Cl oral route and showed causal prophylactic activity comparable to that of the commonly used clinical drugs in Rhesus monkeys infected with sporozoites of Plasmodium cynomolgi. The metabolic stability and metabolites profile indicated that the new deoxo-IZ derivatives (8) may act as prodrugs of the corresponding IZ (1 and 2) derivatives.

  DOI：

  10.1021/jm200111g
• 作为产物：
  描述：

  N-异丙基甘氨酸 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-isopropyl-2-methylsulfanyl-1,5-dihydroimidazol-4-one hydrogen iodide
  参考文献：
  名称：

  Synthesis and Antimalarial Activity of 2-Guanidino-4-oxoimidazoline Derivatives

  摘要：

  A series of 2-guanidino-4-oxoimidazoline (deoxo-IZ) derivatives was prepared and showed potent antimalarial activities in rodent and Rhesus models. Compound 8e, the most potent analogues of this series, is the first non-8-aminoqinoline antimalarial that demonstrated radical curative activity in non-human primate by Cl oral route and showed causal prophylactic activity comparable to that of the commonly used clinical drugs in Rhesus monkeys infected with sporozoites of Plasmodium cynomolgi. The metabolic stability and metabolites profile indicated that the new deoxo-IZ derivatives (8) may act as prodrugs of the corresponding IZ (1 and 2) derivatives.

  DOI：

  10.1021/jm200111g

文献信息

• Synthesis and Antimalarial Activity of 2-Guanidino-4-oxoimidazoline Derivatives
  作者：Xianjun Liu、Xihong Wang、Qigui Li、Michael P. Kozar、Victor Melendez、Michael T. O’Neil、Ai J. Lin

  DOI：10.1021/jm200111g

  日期：2011.7.14

  A series of 2-guanidino-4-oxoimidazoline (deoxo-IZ) derivatives was prepared and showed potent antimalarial activities in rodent and Rhesus models. Compound 8e, the most potent analogues of this series, is the first non-8-aminoqinoline antimalarial that demonstrated radical curative activity in non-human primate by Cl oral route and showed causal prophylactic activity comparable to that of the commonly used clinical drugs in Rhesus monkeys infected with sporozoites of Plasmodium cynomolgi. The metabolic stability and metabolites profile indicated that the new deoxo-IZ derivatives (8) may act as prodrugs of the corresponding IZ (1 and 2) derivatives.