3-(4,6-diamino-1,3,5-triazin-2-ylamino)propan-1-ol | 91313-29-0

• 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: 3-(4,6-diamino-1,3,5-triazin-2-ylamino)propan-1-ol
• 英文别名: 3-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]propan-1-ol
• CAS: 91313-29-0
• 化学式: C₆H₁₂N₆O
• 分子量: 184.201
• InChiKey: LETMOHPMBKYRPT-UHFFFAOYSA-N

物化性质

• 沸点：
  542.4±52.0 °C(Predicted)
• 密度：
  1.489±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  123
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-(4,6-diamino-1,3,5-triazin-2-ylamino)propan-1-ol 、 氧氟沙星 在 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 49.3h， 以10%的产率得到3-(4,6-diamino-1,3,5-triazin-2-ylamino)-propyl 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate
  参考文献：
  名称：

  Targeted delivery of compounds to Trypanosoma brucei using the melamine motif

  摘要：

  There is an urgent need for the development of new drugs for the treatment of human African trypanosomiasis. The causative organism, Trypanosoma brucei, has been shown to have some unusual plasma membrane transporters, in particular the P2 aminopurine transporter and related permeases, which have been used for the selective targeting of trypanocidal compounds to the organism. In this paper, we report the addition of melamine-based P2-targeting motifs to three different classes of compound in order to try and improve activity through increased selective uptake. The classes reported here are fluoroquinolones, difluoromethylornithine and artesunate derivatives. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.01.058
• 作为产物：
  描述：

  2-氯-4,6-二氨基-1,3,5-三嗪 、 3-氨基-1-丙醇 在 碳酸氢钠 作用下， 以 甲醇 、 水 为溶剂， 反应 0.42h， 以80%的产率得到3-(4,6-diamino-1,3,5-triazin-2-ylamino)propan-1-ol
  参考文献：
  名称：

  Targeted delivery of compounds to Trypanosoma brucei using the melamine motif

  摘要：

  There is an urgent need for the development of new drugs for the treatment of human African trypanosomiasis. The causative organism, Trypanosoma brucei, has been shown to have some unusual plasma membrane transporters, in particular the P2 aminopurine transporter and related permeases, which have been used for the selective targeting of trypanocidal compounds to the organism. In this paper, we report the addition of melamine-based P2-targeting motifs to three different classes of compound in order to try and improve activity through increased selective uptake. The classes reported here are fluoroquinolones, difluoromethylornithine and artesunate derivatives. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.01.058

文献信息

• Quinol derivatives as potential trypanocidal agents
  作者：Amy Capes、Stephen Patterson、Susan Wyllie、Irene Hallyburton、Iain T. Collie、Andrew J. McCarroll、Malcolm F.G. Stevens、Julie A. Frearson、Paul G. Wyatt、Alan H. Fairlamb、Ian H. Gilbert

  DOI：10.1016/j.bmc.2011.12.018

  日期：2012.2

  Quinols have been developed as a class of potential anti-cancer compounds. They are thought to act as double Michael acceptors, forming two covalent bonds to their target protein(s). Quinols have also been shown to have activity against the parasite Trypanosoma brucei, the causative organism of human African trypanosomiasis, but they demonstrated little selectivity over mammalian MRC5 cells in a counter-screen

  喹啉已被开发为一类潜在的抗癌化合物。它们被认为充当双迈克尔受体，与它们的靶蛋白形成两个共价键。喹诺酮类化合物也被证明对寄生虫布氏锥虫（人类非洲锥虫病的致病微生物）具有活性，但在反筛选中它们对哺乳动物 MRC5 细胞几乎没有选择性。在本文中，我们报告了针对T. brucei的喹啉的进一步例子的筛选. 我们能够推导出 SAR，但这些化合物对 MRC5 细胞几乎没有选择性。在提高选择性的一种方法中，我们将三聚氰胺和苯甲脒基序连接到喹啉上，因为已知这些基元通过转运蛋白选择性地集中在寄生虫中。一般来说，这些含有转运蛋白基序的类似物显示出更高的选择性。然而，它们也显示出对布氏锥虫的效力水平降低。
• Hydroxyalkylmelamine modified melamine-formaldehyde resins and their use in heat and pressure consolidated laminates
  申请人：FORMICA CORPORATION

  公开号：EP0106049A1

  公开（公告）日：1984-04-25

  Hydroxyalkylmelamines are disclosed as ingredients in various resins which find use as the resin component of heat and pressure consolidated laminates, especially decorative laminates having either post-formability or a core having a color matching that of the decor sheet.

  羟烷基melamines 作为各种树脂的成分被公开，这些树脂可用作热压加固层压板的树脂成分，特别是具有后成型性或芯材颜色与装饰板相匹配的装饰层压板。
• Method for continuously producing melt-reacted melamine-formaldehyde resins
  申请人：FORMICA CORPORATION

  公开号：EP0118674A2

  公开（公告）日：1984-09-19

  A method for producing a melamine-formaldehyde resin by reacting crystalline melamine and solid formaldehyde in a single pass reactor, the resin produced by said process and a reinforcing substrate coated with said melamine-formaldehyde resin, are disclosed.

  本发明公开了一种通过在单程反应器中使结晶三聚氰胺和固体甲醛发生反应来生产三聚氰胺甲醛树脂的方法、由所述工艺生产的树脂以及涂有所述三聚氰胺甲醛树脂的增强基材。
• Strong and elastic polyurethane polyurea polycrylates and electron beam-cured coatings containing the same
  申请人：DeSOTO, INC.

  公开号：EP0193092A2

  公开（公告）日：1986-09-03

  An essentially isocyanate-free polyurethane polyurea polyethylenic oligomer is disclosed which is unusually strong and elastic. This oligomer is the reaction product of: (1) organic diisocyanate; (2) a stoichiometric deficiency of difunctional materials reactive therewith and consisting essentially of: (A) diol component selected from polycarbonate diol and polyoxyalkylene glycol, this diol component having a molecular weight of from 200 to 2000; (B) dihydric bisphenol-based alkylene oxide adduct containing from 2-10 alkylene groups per molecule; and (C) a diprimary diamine component selected from alkylene diamine and polyoxyalkylene diamine, this diamine component having a molecular weight of from about 70 to 800. Components (A) and (B) are present in a weight ratio of from 1:4 to 9:1 and component (C) is present to supply from 30 to 60 equivalent percent of the total equivalents of component (2). The polyurethane polyurea so-constituted is capped with monohydric ethylenic compound, such as 2-hydroxyethyl acrylate, to provide a molecular weight in the range of about 5,000 to about 30,000. This polyethylenic oligomer is cured by radiation exposure, such as an electron beam, using from 5% to 25%, based on total polymer solids, of a polyethylenic cross-linking agent.

  本发明公开了一种基本上不含异氰酸酯的聚氨酯聚脲聚乙烯低聚物，它具有非同寻常的强度和弹性。这种低聚物是以下物质的反应产物(1) 有机二异氰酸酯；(2) 与之反应的双官能团材料的化学计量不足，主要包括(A) 选自聚碳酸酯二元醇和聚氧亚烷基二醇的二元醇组分，该二元醇组分的分子量为 200 至 2000；(B) 每分子含有 2 至 10 个亚烷基的二水双酚基环氧亚烷基加合物；以及 (C) 选自亚烷基二胺和聚氧亚烷基二胺的二元二胺组分，该二元二胺组分的分子量约为 70 至 800。组分（A）和（B）的重量比为 1:4 至 9:1，组分（C）占组分（2）总当量的 30% 至 60%。如此构成的聚氨酯聚脲用一水乙烯基化合物（如丙烯酸 2-羟乙基酯）封端，以提供分子量在约 5,000 至约 30,000 之间的产品。 这种聚乙烯低聚物通过辐照（如电子束）固化，使用的聚乙烯交联剂占聚合物固体总量的 5%至 25%。
• Rigid polyurethane and polyisocyanurate foams
  申请人：CYTEC TECHNOLOGY CORP.

  公开号：EP0496081A2

  公开（公告）日：1992-07-29

  Novel rigid polyurethane and/or polyisocyanurate foams are disclosed which have fine cell structure, low K-factor, and flame retardance. These foams are prepared by the reaction of a polyisocyanate with herterocyclic nitrogen containing polybeta-hydroxy urethane functional polyols which act as chemically bound flame retardants. Also disclosed are novel modified poly-beta-hydroxyalkyl carbamylalkylated heterocyclic nitrogen containing polyols useful for the formation of rigid foams.

  本发明公开了新型硬质聚氨酯和/或聚异氰脲酸酯泡沫塑料，它们具有细孔结构、低 K 因子和阻燃性能。这些泡沫的制备方法是将多异氰酸酯与含异环氮的聚特羟基氨基甲酸酯官能团多元醇反应，后者可作为化学结合阻燃剂。此外，还公开了新型改性聚β-羟基烷基氨甲酰烷基杂环含氮多元醇，可用于形成硬质泡沫。