6-(3,4-dimethoxy-phenyl)-[1,3,5]triazine-2,4-diamine | 36303-44-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-(3,4-dimethoxy-phenyl)-[1,3,5]triazine-2,4-diamine
• 英文别名: 2,4-Diamino-6-(3,4-dimethoxyphenyl)-s-triazin；6-(3,4-Dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
• CAS: 36303-44-3
• 化学式: C₁₁H₁₃N₅O₂
• mdl: MFCD00444528
• 分子量: 247.257
• InChiKey: MQYZKNZODCYYAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  异丁酰氯 、 6-(3,4-dimethoxy-phenyl)-[1,3,5]triazine-2,4-diamine 在 吡啶 作用下， 反应 24.0h， 以82%的产率得到N-[4-(3,4-Dimethoxy-phenyl)-6-isobutyrylamino-[1,3,5]triazin-2-yl]-isobutyramide
  参考文献：
  名称：

  Model Systems for Flavoenzyme Activity. Regulation of Flavin Recognition via Modulation of Receptor Hydrogen-Bond Donor−Acceptor Properties

  摘要：

  We have synthesized a new family of receptors for flavins based on 6-aryl-2,4-(acyldiamino)-s-triazines. In these synthetic hosts, systematic variation of the spatially remote substituents on the 6-aryl ring alters the hydrogen-bond-donating abilities of the amide functionality and the hydrogen-bond-accepting properties of the triazine N(3). This variation results in a strong modulation of the efficiency of flavin binding, with association constants for the receptor flavin complexes ranging over an 8-fold range.

  DOI：

  10.1021/jo961877c
• 作为产物：
  描述：

  3,4-二甲氧基苄腈 、 二聚氰胺 在 氢氧化钾 作用下， 以 戊醇 为溶剂， 反应 24.0h， 以99%的产率得到6-(3,4-dimethoxy-phenyl)-[1,3,5]triazine-2,4-diamine
  参考文献：
  名称：

  Model Systems for Flavoenzyme Activity. Regulation of Flavin Recognition via Modulation of Receptor Hydrogen-Bond Donor−Acceptor Properties

  摘要：

  We have synthesized a new family of receptors for flavins based on 6-aryl-2,4-(acyldiamino)-s-triazines. In these synthetic hosts, systematic variation of the spatially remote substituents on the 6-aryl ring alters the hydrogen-bond-donating abilities of the amide functionality and the hydrogen-bond-accepting properties of the triazine N(3). This variation results in a strong modulation of the efficiency of flavin binding, with association constants for the receptor flavin complexes ranging over an 8-fold range.

  DOI：

  10.1021/jo961877c

文献信息

• ANTICANCER COMPOSITION AND COMPOUND
  申请人：NIPPON SHINYAKU COMPANY, LIMITED

  公开号：EP0563386A1

  公开（公告）日：1993-10-06

  An anticancer composition containing a compound represented by general formula (I) or a pharmacologically acceptable acid addition salt thereof. In formula (I), R¹⁰ and R²⁰ may be the same or different from each other and each represents hydrogen, halogen, amino, aralkylamino, nitro, lower alkyl, lower alkoxy, lower alkoxyalkoxy, lower aralkyloxy or acyl; R³⁰ and R⁴⁰ may be the same or different from each other and each represents hydrogen, nicotinoyl, benzoyl or lower alkoxy; and n represents 0 or 1.

  一种抗癌组合物，含有通式(I)代表的化合物或其药理学上可接受的酸加成盐。在式 (I) 中，R¹⁰ 和 R²⁰ 可以彼此相同或不同，各自代表氢、卤素、氨基、烷基氨基、硝基、低级烷基、低级烷氧基、低级烷氧基烷氧基、低级芳氧基或酰基；R³⁰ 和 R⁴⁰ 可以彼此相同或不同，各自代表氢、烟酰基、苯甲酰基或低级烷氧基；n 代表 0 或 1。
• CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES
  申请人：Electrophoretics Limited

  公开号：US20160354375A1

  公开（公告）日：2016-12-08

  The invention relates to pharmaceutical compositions comprising casein kinase 1 delta (CK1δ) and to the use of said inhibitors in the treatment of neurodegenerative disorders such as Alzheimer's disease.
• US4873242A
  申请人：——

  公开号：US4873242A

  公开（公告）日：1989-10-10
• Model Systems for Flavoenzyme Activity. Regulation of Flavin Recognition via Modulation of Receptor Hydrogen-Bond Donor−Acceptor Properties
  作者：Robert Deans、Graeme Cooke、Vincent M. Rotello

  DOI：10.1021/jo961877c

  日期：1997.2.1

  We have synthesized a new family of receptors for flavins based on 6-aryl-2,4-(acyldiamino)-s-triazines. In these synthetic hosts, systematic variation of the spatially remote substituents on the 6-aryl ring alters the hydrogen-bond-donating abilities of the amide functionality and the hydrogen-bond-accepting properties of the triazine N(3). This variation results in a strong modulation of the efficiency of flavin binding, with association constants for the receptor flavin complexes ranging over an 8-fold range.