1-(2-氯乙基)-3-(5-甲基噻唑-2-基)脲 | 612480-85-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-(2-氯乙基)-3-(5-甲基噻唑-2-基)脲
• 英文名称: 1-(2-chloroethyl)-3-(5-methylthiazol-2-yl)urea
• 英文别名: 1-(2-Chloroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
• CAS: 612480-85-0
• 化学式: C₇H₁₀ClN₃OS
• mdl: MFCD24388186
• 分子量: 219.695
• InChiKey: MLGMKHIARJNYIK-UHFFFAOYSA-N

物化性质

• 密度：
  1.388±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  82.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-氯乙基)-3-(5-甲基噻唑-2-基)脲 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 16.0h， 以82%的产率得到1-(5-甲基-1,3-噻唑-2-基)咪唑烷-2-酮
  参考文献：
  名称：

  Synthesis and antileishmanial activity of new imidazolidin-2-one derivatives

  摘要：

  N-3-acyl, arylsulfonyl and benzyl derivatives of N-1-(4,6-dimethylpyridin-2-yl), (5-methylthiazol-2-yl) or (3-methylisoxazol-5-yl)imidazolidin-2-ones were synthesized and evaluated as potential antileishmanial agents. Determination of their cytotoxic effect was carried out using MRC5 cells. Two compounds, 1-(4,6-dimethylpyridin-2-yl)-3-(napht-2-ylsulfonyl)imidazolidin-2-one, 18, and 1-(3-methylisoxazol-5-yl)-3-(4-bromobenzyl)imidazo-lidin-2-one, 25, exerted significant antileishmanial activity in promastigotes of Leishmania (L) mexicana and Leishmania infantum, with IC50 in the range of 8-16 mumol L-1. Antiparasitical activity of the less toxic compound, 25, was confirmed against intracellular amastigote of L. mexicana, the clinical relevant stage; its low IC50 value (2.4 mumol L-1) and its favourable toxicity/activity index (11) constitute encouraging results for ongoing pharmacomodulation in the corresponding subseries. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(03)00119-3
• 作为产物：
  描述：

  氯乙基异氰酸酯 、 2-氨基-5-甲基噻唑 以 氯仿 为溶剂， 反应 3.0h， 以53%的产率得到1-(2-氯乙基)-3-(5-甲基噻唑-2-基)脲
  参考文献：
  名称：

  Synthesis and antileishmanial activity of new imidazolidin-2-one derivatives

  摘要：

  N-3-acyl, arylsulfonyl and benzyl derivatives of N-1-(4,6-dimethylpyridin-2-yl), (5-methylthiazol-2-yl) or (3-methylisoxazol-5-yl)imidazolidin-2-ones were synthesized and evaluated as potential antileishmanial agents. Determination of their cytotoxic effect was carried out using MRC5 cells. Two compounds, 1-(4,6-dimethylpyridin-2-yl)-3-(napht-2-ylsulfonyl)imidazolidin-2-one, 18, and 1-(3-methylisoxazol-5-yl)-3-(4-bromobenzyl)imidazo-lidin-2-one, 25, exerted significant antileishmanial activity in promastigotes of Leishmania (L) mexicana and Leishmania infantum, with IC50 in the range of 8-16 mumol L-1. Antiparasitical activity of the less toxic compound, 25, was confirmed against intracellular amastigote of L. mexicana, the clinical relevant stage; its low IC50 value (2.4 mumol L-1) and its favourable toxicity/activity index (11) constitute encouraging results for ongoing pharmacomodulation in the corresponding subseries. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(03)00119-3