5-(4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazin-2-ylamino)picolinonitrile | 1393550-85-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 5-(4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazin-2-ylamino)picolinonitrile
• 英文别名: 5-[[4,6-Bis(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile
• CAS: 1393550-85-0
• 化学式: C₁₉H₂₆N₁₀
• 分子量: 394.482
• InChiKey: OJWDYEUFGIHYOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  5-(4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazin-2-ylamino)picolinonitrile 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以92%的产率得到5-(4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazin-2-ylamino)picolinonitrile hydrochloride
  参考文献：
  名称：

  Synthesis and biological evaluation of novel 2,4,6-triazine derivatives as antimicrobial agents

  摘要：

  A series of 2,4,6-trisubstituted [1,3,5]triazines were synthesized and evaluated for their antimicrobial activity against two representative Gram-positive, Gram-negative bacteria and two fungi. Biological data revealed that among all the compounds screened, compounds 3f, 3g, 3h, 3i, 3m, 3o and 3p found to have promising antimicrobial activity against all the selected pathogenic bacteria and fungi. Out of the synthesized compounds seven analogues have shown MIC in the range of 6.25-12.5 mu g/mL. These compounds were generally nontoxic and may prove useful as antimicrobial agents. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.111
• 作为产物：
  描述：

  3-氨基-6-氰基吡啶 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 11.0h， 生成 5-(4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazin-2-ylamino)picolinonitrile
  参考文献：
  名称：

  Synthesis and biological evaluation of novel 2,4,6-triazine derivatives as antimicrobial agents

  摘要：

  A series of 2,4,6-trisubstituted [1,3,5]triazines were synthesized and evaluated for their antimicrobial activity against two representative Gram-positive, Gram-negative bacteria and two fungi. Biological data revealed that among all the compounds screened, compounds 3f, 3g, 3h, 3i, 3m, 3o and 3p found to have promising antimicrobial activity against all the selected pathogenic bacteria and fungi. Out of the synthesized compounds seven analogues have shown MIC in the range of 6.25-12.5 mu g/mL. These compounds were generally nontoxic and may prove useful as antimicrobial agents. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.111

文献信息

• Synthesis and biological evaluation of novel 2,4,6-triazine derivatives as antimicrobial agents
  作者：Sandip N. Gavade、Vijay L. Markad、Kisan M. Kodam、Murlidhar S. Shingare、Dhananjay V. Mane

  DOI：10.1016/j.bmcl.2012.05.111

  日期：2012.8

  A series of 2,4,6-trisubstituted [1,3,5]triazines were synthesized and evaluated for their antimicrobial activity against two representative Gram-positive, Gram-negative bacteria and two fungi. Biological data revealed that among all the compounds screened, compounds 3f, 3g, 3h, 3i, 3m, 3o and 3p found to have promising antimicrobial activity against all the selected pathogenic bacteria and fungi. Out of the synthesized compounds seven analogues have shown MIC in the range of 6.25-12.5 mu g/mL. These compounds were generally nontoxic and may prove useful as antimicrobial agents. (C) 2012 Elsevier Ltd. All rights reserved.