[4-(2,3-二甲基-苯胺基)-6-乙氧基-[1,3,5]三嗪-2-基硫烷基]-乙酸 | 61018-63-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: [4-(2,3-二甲基-苯胺基)-6-乙氧基-[1,3,5]三嗪-2-基硫烷基]-乙酸
• 英文名称: [4-(2,3-dimethyl-anilino)-6-ethoxy-[1,3,5]triazin-2-ylsulfanyl]-acetic acid
• 英文别名: 2-[[4-(2,3-Dimethylanilino)-6-ethoxy-1,3,5-triazin-2-yl]sulfanyl]acetic acid
• CAS: 61018-63-1
• 化学式: C₁₅H₁₈N₄O₃S
• 分子量: 334.399
• InChiKey: SLZMWMXHRPGWDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  123
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,3-二甲基苯胺 在 sodium hydroxide 、 sodium hydride 作用下， 以 乙二醇二甲醚 、 水 、 丙酮 为溶剂， 反应 2.33h， 生成 [4-(2,3-二甲基-苯胺基)-6-乙氧基-[1,3,5]三嗪-2-基硫烷基]-乙酸
  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).