[4-chloro-6-(N-methyl-2,3-xylidino)-2-pyrimidinyl]-oxyacetic acid | 86627-32-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [4-chloro-6-(N-methyl-2,3-xylidino)-2-pyrimidinyl]-oxyacetic acid
• 英文别名: 2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetic acid
• CAS: 86627-32-9
• 化学式: C₁₅H₁₆ClN₃O₃
• 分子量: 321.763
• InChiKey: DKWUPTGISSPNBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  75.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N,2,3-trimethylaniline 在 sodium hydroxide 、 sodium tungstate 、 双氧水 、 sodium hydride 、 sodium carbonate 作用下， 以 乙醇 、 溶剂黄146 、 乙腈 为溶剂， 反应 65.58h， 生成 [4-chloro-6-(N-methyl-2,3-xylidino)-2-pyrimidinyl]-oxyacetic 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

• Novel pyrimidine and s. triazine derivatives with antilipidemic activity
  申请人：LPB Istituto Farmaceutico s.p.a.

  公开号：EP0073328A1

  公开（公告）日：1983-03-09

  Pyrimidine and s-triazine derivatives of formula (I) in which X = CH or N; Y = for example halogen, alkoxy; W = for example -S-CH2-COOH, -O-CH2-COO alkyl, -NH-CH2-CONHCH2CH2OH; Z = for example 2,3-xylidino, and methods for the preparation thereof are described. The compounds show high antiiipemic activity.

  式(I)的嘧啶和 s-三嗪衍生物 其中 X = CH 或 N；Y = 例如卤素、烷氧基；W = 例如 -S-CH2-COOH、-O- -COO 烷基、-NH- -CONH OH；Z = 例如 2,3-xylidino。这些化合物具有很高的抗血脂活性。
• 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：——
• US4559345A
  申请人：——

  公开号：US4559345A

  公开（公告）日：1985-12-17