N2-(4-(methylthio)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl)-N4,N6-dipropyl-1,3,5-triazine-2,4,6-triamine | 1160591-44-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N2-(4-(methylthio)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl)-N4,N6-dipropyl-1,3,5-triazine-2,4,6-triamine
• 英文别名: N2-[4-(Methylsulfanyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-N4,N6-dipropyl-1,3,5-triazine-2,4,6-triamine；2-N-[4-methylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
• CAS: 1160591-44-5
• 化学式: C₂₃H₃₂N₈O₃S
• 分子量: 500.625
• InChiKey: JTSJQDSQHDXZKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  35
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  154
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  正丙胺 、 (4,6-dichloro-[1,3,5]triazin-2-yl)-[4-methylsulfanyl-6-(3,4,5-trimethoxyphenyl)-pyrimidin-2-yl]-amine 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 以67%的产率得到N2-(4-(methylthio)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl)-N4,N6-dipropyl-1,3,5-triazine-2,4,6-triamine
  参考文献：
  名称：

  Synthesis and antileishmanial activity of novel 2,4,6-trisubstituted pyrimidines and 1,3,5-triazines

  摘要：

  A series of 2,4,6-trisubstituted pyrimidines and 1,3,5-triazines have been synthesized and screened for their in vitro and in vivo antileishmanial activity against Leishmania donovani. Among all, 14 compounds have shown promising inhibition of 80-100% at 10 mu g/ml against promastigotes and IC50 in the range of 0.89-9.68 mu g/ml against amastigotes. Three compounds 13, 32 and 33 with good selectivity index (S.I.) were screened for their in vivo activity in golden hamsters (Mesocricetus auratus) infected with MHOM/IN/80/Dd(8) strain of L. donovani and have shown moderate in vivo inhibition of 48-56% at a dose of 50 mg/kg x 5, i.p. route for 5 days. (C) 2009 Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2009.01.016

文献信息

• Synthesis and antileishmanial activity of novel 2,4,6-trisubstituted pyrimidines and 1,3,5-triazines
  作者：Naresh Sunduru、Nishi、Shraddha Palne、Prem M.S. Chauhan、Suman Gupta

  DOI：10.1016/j.ejmech.2009.01.016

  日期：2009.6

  A series of 2,4,6-trisubstituted pyrimidines and 1,3,5-triazines have been synthesized and screened for their in vitro and in vivo antileishmanial activity against Leishmania donovani. Among all, 14 compounds have shown promising inhibition of 80-100% at 10 mu g/ml against promastigotes and IC50 in the range of 0.89-9.68 mu g/ml against amastigotes. Three compounds 13, 32 and 33 with good selectivity index (S.I.) were screened for their in vivo activity in golden hamsters (Mesocricetus auratus) infected with MHOM/IN/80/Dd(8) strain of L. donovani and have shown moderate in vivo inhibition of 48-56% at a dose of 50 mg/kg x 5, i.p. route for 5 days. (C) 2009 Published by Elsevier Masson SAS.