N,N'-Bis-(4-methoxy-benzyl)-N''-(2-methoxy-phenyl)-[1,3,5]triazine-2,4,6-triamine | 474828-25-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: N,N'-Bis-(4-methoxy-benzyl)-N''-(2-methoxy-phenyl)-[1,3,5]triazine-2,4,6-triamine
• 英文别名: 2-N-(2-methoxyphenyl)-4-N,6-N-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
• CAS: 474828-25-6
• 化学式: C₂₆H₂₈N₆O₃
• 分子量: 472.547
• InChiKey: SSOQZLVNAXWVPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  102
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N,N'-Bis-(4-methoxy-benzyl)-N''-(2-methoxy-phenyl)-[1,3,5]triazine-2,4,6-triamine 、 环己胺 、 4,6-dichloro-[1,3,5]triazin-2-yl-4-methoxy-benzyl-amine 生成 N-Cyclohexyl-N'-(4-methoxy-benzyl)-N''-(3-nitro-benzyl)-[1,3,5]triazine-2,4,6-triamine
  参考文献：
  名称：

  A Novel Microtubule Destabilizing Entity from Orthogonal Synthesis of Triazine Library and Zebrafish Embryo Screening

  摘要：

  The first orthogonal combinatorial synthesis of a high-purity triazine library was demonstrated. Novel triazine-based microtubule inhibitors were discovered by an efficient zebrafish embryo screening and in vitro microtubule polymerization assay.

  DOI：

  10.1021/ja026720i
• 作为产物：
  描述：

  4-甲氧基苄胺 、 alkaline earth salt of/the/ methylsulfuric acid 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 N,N'-Bis-(4-methoxy-benzyl)-N''-(2-methoxy-phenyl)-[1,3,5]triazine-2,4,6-triamine
  参考文献：
  名称：

  A Novel Microtubule Destabilizing Entity from Orthogonal Synthesis of Triazine Library and Zebrafish Embryo Screening

  摘要：

  The first orthogonal combinatorial synthesis of a high-purity triazine library was demonstrated. Novel triazine-based microtubule inhibitors were discovered by an efficient zebrafish embryo screening and in vitro microtubule polymerization assay.

  DOI：

  10.1021/ja026720i