4,4'-(6-(piperazin-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine | 332409-32-2

• 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: 4,4'-(6-(piperazin-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine
• 英文别名: 4,4′-(6-(piperazin-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine；ZINC000000197090；2,4-Di(4-morpholinyl)-6-(1-piperazinyl)-1,3,5-triazine；4-(4-morpholin-4-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)morpholine
• CAS: 332409-32-2
• 化学式: C₁₅H₂₅N₇O₂
• 分子量: 335.409
• InChiKey: ASLJYECTXAVISF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  78.9
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  7-氯-4-异硫代氰酰基喹啉 、 4,4'-(6-(piperazin-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine 以 丙酮 为溶剂， 反应 18.0h， 以77%的产率得到N-(7-chloroquinolin-4-yl)-4-(4,6-di(morpholino)-1,3,5-triazin-2-yl)piperazine-1-carbothioamide
  参考文献：
  名称：

  Antimalarial activity and docking studies of novel bi-functional hybrids derived from 4-aminoquinoline and 1,3,5-triazine against wild and mutant malaria parasites as pf-DHFR inhibitor

  摘要：

  通过简便的合成路线合成了由 4-氨基喹啉和 1,3,5-三嗪组成的双功能共轭物。对这些化合物进行了严格筛选，以确定它们对野生和变异培养的恶性疟原虫的抗疟活性。结果表明，这些共轭物对野生寄生虫和变异寄生虫都具有相当强的抗疟活性，而且随着取代模式的改变而发生明显变化。此外，对野生和四重突变的恶性疟原虫二氢叶酸还原酶胸苷酸合成酶（pf-DHFR-TS）进行的对接研究也证实了观察到的活性特征。

  DOI：

  10.1039/c2ra21915h
• 作为产物：
  描述：

  2-氯-4,6-二吗啉-4-基-1,3,5-三嗪 在 盐酸 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 4,4'-(6-(piperazin-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine
  参考文献：
  名称：

  Design and Synthesis of Novel Bis-Morpholinotriazine Analogs and their Antibacterial, Antifungal and Antioxidant Studies

  摘要：

  一系列新型双咪唑基-1,3,5-三嗪衍生物的类似物已从氰尿酸氯化物作为起始前体合成。通过光谱数据表征产物，并报告其对微生物的生物学评价。这些化合物的抗氧化性质也进行了研究。

  DOI：

  10.14233/ajchem.2022.23656

文献信息

• Design, Facile Synthesis, Antibacterial Activity and Structure-Activity Relationship of Novel Di- and Tri-Substituted 1,3,5-Triazines
  作者：Surajit Kumar Ghosh、Ashmita Saha、Bornali Hazarika、Udaya Pratap Singh、Hans Raj Bhat、Prashant Gahtori

  DOI：10.2174/157018012799129846

  日期：2012.3.1

  continuation of our research on discovery of novel heterocyclic scaffolds from 1,3,5-triazine, present study deals with design and development of some novel di- and tri-substituted 1,3,5-triazine derivatives. The synthesis of title analogues were accomplished by SNAr reaction and subsequently underwent rigorous antibacterial screening against a panel of representative Gram-negative and Gram-positive bacteria

  由于大量产生抗药性微生物，迫切需要开发新型化学治疗剂。在继续我们从1,3,5-三嗪发现新型杂环支架的研究的过程中，本研究涉及一些新型的二和三取代的1,3,5-三嗪衍生物的设计和开发。标题类似物的合成通过SNAr反应完成，然后针对一组代表性的革兰氏阴性和革兰氏阳性细菌进行严格的抗菌筛选。筛选结果表明，微小的结构变异可能会引起活性的急剧变化。胺桥和哌嗪被称为生物活性的产生和升级所必需的关键结构片段。
• Polytriazinyl Compounds as Flame Retardants and Light Stabilizers
  申请人：Kaul Bansi Lal

  公开号：US20090281215A1

  公开（公告）日：2009-11-12

  Compounds consisting of an oligomer or a polymer of a 1,3,5-triazine derivative, having the general formula I: wherein: X is selected from: or X is a heterocyclic radical containing in the ring at least one nitrogen atom which radical is linked to the triazine ring through one of such nitrogen atoms, R 2 is alkyl or cycloalkyl, R 1 is a divalent radical of piperazine of the formula or R 2 is a divalent radical according to the formula or R 2 is a radical according to the formula Y n is an integer from 2 to 30, inclusive, m is an integer from 2 to 6, inclusive, p is an integer from 2 to 12, inclusive, and X 1 ═OH,NH 2 or X whereby X and X 1 may be the same or different, and, X 2 ═H or is a C 1 -C 4 alkyl group, and a solvent-free process for the production of the compounds of Formula I as well as the use of the self-extinguishing oligomeric or polymeric compounds as flame retardants and light stabilizers in thermoplastic polymers such as polypropylene or regenerated cellulose or polyester.
• POLYTRIAZINYL COMPOUNDS AS FLAME RETARDANTS AND LIGHT STABILIZERS
  申请人：Kaul Bansi Lal

  公开号：US20120071594A1

  公开（公告）日：2012-03-22

  Compounds consisting of an oligomer or a polymer of a 1,3,5-triazine derivative, having the general formula I: and a solvent-free process for the production of the compounds of Formula I as well as the use of the self-extinguishing oligomeric or polymeric compounds as flame retardants and light stabilizers in thermoplastic polymers such as polypropylene or regenerated cellulose or polyester.
• Organic Materials as Fire and Flame Retardent Synergists
  申请人：MCA Technologies GmbH

  公开号：US20160075849A1

  公开（公告）日：2016-03-17

  Use of oligomeric or polymeric compounds according to the general formula I as organic synergists of fire and flame retardants in self-extinguishing polymeric compositions.
• Organic Materials as Fire and Flame Retardant Synergists
  申请人：MCA Technologies GmbH

  公开号：US20170327665A1

  公开（公告）日：2017-11-16

  Use of oligomeric or polymeric compounds according to the general formula I as organic synergists of fire and flame retardants in self-extinguishing polymeric compositions.