<<4-ethoxy-6-<(2,3-dimethylphenyl)amino>-2-pyrimidinyl>thio>acetic acid | 86627-11-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: <<4-ethoxy-6-<(2,3-dimethylphenyl)amino>-2-pyrimidinyl>thio>acetic acid
• 英文别名: ({4-ethoxy-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl}thio)acetic acid；{[4-(2,3-Dimethylanilino)-6-ethoxypyrimidin-2-yl]sulfanyl}acetic acid；2-[4-(2,3-dimethylanilino)-6-ethoxypyrimidin-2-yl]sulfanylacetic acid
• CAS: 86627-11-4
• 化学式: C₁₆H₁₉N₃O₃S
• 分子量: 333.411
• InChiKey: QPHPXVRBWKCNDI-UHFFFAOYSA-N

物化性质

• 熔点：
  190-193 °C(Solv: ethyl acetate (141-78-6))
• 沸点：
  537.8±50.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  C.I.酸性橙108 、 <<4-ethoxy-6-<(2,3-dimethylphenyl)amino>-2-pyrimidinyl>thio>acetic acid 在 氯甲酸乙酯 、 三乙胺 作用下， 生成 ({4-ethoxy-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl}thio)-N-(2-hydroxyethyl)acetamide
  参考文献：
  名称：

  Novel pyrimidine and 1,3,5-triazine hypolipemic agents

  摘要：

  New compounds were synthesized by changing the substituents of a trisubstituted pyrimidine, i.e., [[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio] acetic acid, a potent hypolipidemic agent, impaired, however, by a marked hepatomegaly-inducing effect. The structural variations led to the subsidence (14b, i.e., 4-chloro-2-(dimethylamino)-6-[(2,3-dimethylphenyl)amino]pyrimidine) or to the reduction (18b, [[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]amino] acetic acid) of said untoward effect but still maintained the hypolipidemic effect that, although markedly decreased, still proves significant for serum cholesterol and triglycerides (18b) or for serum triglycerides only (14b).

  DOI：

  10.1021/jm00378a016
• 作为产物：
  描述：

  3-(二甲基氨基)-2-(2-噻吩羰基)-丙烯腈 在 sodium hydroxide 、 N,N-二乙基苯胺 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 24.03h， 生成 <<4-ethoxy-6-<(2,3-dimethylphenyl)amino>-2-pyrimidinyl>thio>acetic acid
  参考文献：
  名称：

  Novel pyrimidine and 1,3,5-triazine hypolipemic agents

  摘要：

  New compounds were synthesized by changing the substituents of a trisubstituted pyrimidine, i.e., [[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio] acetic acid, a potent hypolipidemic agent, impaired, however, by a marked hepatomegaly-inducing effect. The structural variations led to the subsidence (14b, i.e., 4-chloro-2-(dimethylamino)-6-[(2,3-dimethylphenyl)amino]pyrimidine) or to the reduction (18b, [[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]amino] acetic acid) of said untoward effect but still maintained the hypolipidemic effect that, although markedly decreased, still proves significant for serum cholesterol and triglycerides (18b) or for serum triglycerides only (14b).

  DOI：

  10.1021/jm00378a016

文献信息

• DATRI, G.;GOMARASCA, P.;RESNATI, G.;TRONCONI, G.;SCOLASTICO, C.;SIRTORI, +, J. MED. CHEM., 1984, 27, N 12, 1621-1629
  作者：DATRI, G.、GOMARASCA, P.、RESNATI, G.、TRONCONI, G.、SCOLASTICO, C.、SIRTORI, +

  DOI：——

  日期：——
• Novel pyrimidine and 1,3,5-triazine hypolipemic agents
  作者：Gaetano D'Atri、Piero Gomarasca、Giuseppe Resnati、Giovanni Tronconi、Carlo Scolastico、Cesare R. Sirtori

  DOI：10.1021/jm00378a016

  日期：1984.12

  New compounds were synthesized by changing the substituents of a trisubstituted pyrimidine, i.e., [[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio] acetic acid, a potent hypolipidemic agent, impaired, however, by a marked hepatomegaly-inducing effect. The structural variations led to the subsidence (14b, i.e., 4-chloro-2-(dimethylamino)-6-[(2,3-dimethylphenyl)amino]pyrimidine) or to the reduction (18b, [[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]amino] acetic acid) of said untoward effect but still maintained the hypolipidemic effect that, although markedly decreased, still proves significant for serum cholesterol and triglycerides (18b) or for serum triglycerides only (14b).