4,6-diamino-1,2-dihydro-2,2-dimethyl-1-hydroxy-1,3,5-triazine | 3256-34-6

• 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: 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-hydroxy-1,3,5-triazine
• 英文别名: 4.6-Diamino-1.2-dihydro-1-hydroxy-2.2-dimethyl-1.3.5-triazin；4.6-Diamino-1.2-dihydro-2.2-dimethyl-1-hydroxy-1.3.5-triazin；4.6-Diamino-1-hydroxy-1.2-dihydro-2.2-dimethyl-1.3.5-triazin；4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-oxy-1,3,5-triazin；4,6-diamino-1,2-dihydro-1-hydroxy-2,2,-dimethyl-1,3,5-triazine；4,6-diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-ol；4,6-Diamino-1,2-dihydro-1-hydroxy-2,2-dimethyl-1,3,5-triazine；1-hydroxy-6,6-dimethyl-1,3,5-triazine-2,4-diamine
• CAS: 3256-34-6
• 化学式: C₅H₁₁N₅O
• 分子量: 157.175
• InChiKey: UPJXWVHRYGYRIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  100
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3-溴丙氧基)萘 、 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-hydroxy-1,3,5-triazine 以 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 以49%的产率得到4,6-diamino-1,2-dihydro-2,2-dimethyl-1-[3'-(1-naphthyloxy)propyloxy]-1,3,5-triazine hydrobromide
  参考文献：
  名称：

  Phenoxypropoxybiguanides, Prodrugs of DHFR−Inhibiting Diaminotriazine Antimalarials

  摘要：

  A total of 34 analogues of the biguanide PS-15 (5s), a prodrug of the diaminotriazine WR99210 (8s), have been prepared. Several of them, such as 5b (PS-33) and 5m. (PS-26), maintain or exceed the in vivo activity of PS-15 while not requiring the use of highly regulated starting materials. The putative diaminotriazine metabolites of these new analogues (compounds 8) have also been prepared and shown to maintain the activity against resistant P. falciparum strains. The structure-activity relationships of biguanides 5 and putative metabolites 8 are discussed.

  DOI：

  10.1021/jm010089z
• 作为产物：
  描述：

  4,6-diamino-1,2-dihydro-2,2-dimethyl[1,3,5]triazin-1-ol hydrochloride 以 水 为溶剂， 以yielding 37.9 grams of 4,6-diamino-1,2-dihydro-1-hydroxy-2,2-dimethyl-1,3,5-triazine的产率得到4,6-diamino-1,2-dihydro-2,2-dimethyl-1-hydroxy-1,3,5-triazine
  参考文献：
  名称：

  Insecticidal 4,6-diamino-1,2-dihydro-1,3,5-triazine derivatives

  摘要：

  昆虫，特别是鳞翅目和鞘翅目的幼虫，可以通过施用4,6-二氨基-1,2-二氢-1,3,5-三嗪衍生物及其农业可接受的盐来控制，其结构如下：##STR1##当它们与兼容的农业载体混合时；此外，还教授了某些相关的新型杂环基，苯基和萘基三嗪及其取代物。

  公开号：

  US05300503A1

文献信息

• Bajwa, Balbir S.; Acton, Nancy; Brossi, Arnold, Heterocycles, 1983, vol. 20, # 5, p. 839 - 843
  作者：Bajwa, Balbir S.、Acton, Nancy、Brossi, Arnold

  DOI：——

  日期：——