deethylterbuthylazine | 37019-19-5

• 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: deethylterbuthylazine
• 英文别名: desethylterbuthylazine；N-butyl-6-chloro-[1,3,5]triazine-2,4-diamine；N²-butyl-6-chloro-[1,3,5]triazine-2,4-diyldiamine；N²-Butyl-6-chlor-[1,3,5]triazin-2,4-diyldiamin；2-amino-4-n-butylamino-6-chloro-1,3,5-triazine；1,3,5-Triazine-2,4-diamine, N-butyl-6-chloro-；2-N-butyl-6-chloro-1,3,5-triazine-2,4-diamine
• CAS: 37019-19-5
• 化学式: C₇H₁₂ClN₅
• 分子量: 201.659
• InChiKey: ROLHQCWTEFKSMZ-UHFFFAOYSA-N

物化性质

• 熔点：
  142-144 °C
• 沸点：
  404.2±28.0 °C(Predicted)
• 密度：
  1.323±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2933699090

反应信息

• 作为反应物：
  描述：

  deethylterbuthylazine 在 Lindlar's catalyst 作用下， 生成 N-butyl-[1,3,5]triazine-2,4-diamine
  参考文献：
  名称：

  CH252530

  摘要：

  公开号：
• 作为产物：
  描述：

  N-cyano-N’-butylguanidine 、 氯化氰 在 氢氧化钾 、 丙酮 作用下， 生成 deethylterbuthylazine
  参考文献：
  名称：

  US2658893

  摘要：

  公开号：

文献信息

• Novel functionalized melamine-based nitroheterocycles: synthesis and activity against trypanosomatid parasites
  作者：Alessandro Baliani、Valerie Peal、Ludovic Gros、Reto Brun、Marcel Kaiser、Michael P. Barrett、Ian H. Gilbert

  DOI：10.1039/b813394h

  日期：——

  Human African trypanosomiasis (HAT), caused by the protozoan parasite Trypanosoma brucei spp., is a major health problem in sub-Saharan Africa. New drugs are urgently required for the disease. Selective uptake of toxic compounds into trypanosomes has been achieved by exploiting plasma membrane transporters. For example, the P2 aminopurine transporter, along with other transporters, selectively concentrates melamine and benzamidine moieties into trypanosomes. We have previously reported the use of the melamine motif to selectively target nitrofuran to the trypanosome. In this paper we report the further investigation of the structure activity relationships and the effect of the introduction of different functionalized substituents onto the melamine unit. Most of the compounds tested in vitro for their trypanocidal activity showed activities in the submicromolar range against T. b. rhodesiense.

  人类非洲锥虫病（HAT），由原生动物寄生虫布氏锥虫引起，是撒哈拉以南非洲地区的一个主要健康问题。该疾病急需新药。通过利用细胞膜转运蛋白，已经实现了将毒性化合物选择性摄取进入锥虫体内。例如，P2氨基嘌呤转运蛋白以及其他转运蛋白，能够将蜜胺和苄胺基团选择性聚集到锥虫体内。我们之前报道了利用蜜胺基序选择性靶向硝呋喃至锥虫的方法。在本篇论文中，我们进一步研究了结构活性关系，并探究了将不同功能化取代基引入蜜胺单元的影响。大部分在体外测试的化合物对罗德西亚布氏锥虫显示出亚微摩尔级别的杀锥虫活性。
• Thermodynamic Stabilities of Linear and Crinkled Tapes and Cyclic Rosettes in Melamine−Cyanurate Assemblies:  A Model Description
  作者：Anna G. Bielejewska、Christopher E. Marjo、Leonard J. Prins、Peter Timmerman、Feike de Jong、David N. Reinhoudt

  DOI：10.1021/ja010664o

  日期：2001.8.1

  N-disubstituted melamines 1 and N-substituted cyanuric acid or 5,5-disubstituted barbituric acid derivatives 2 into linear or crinkled tapes and cyclic rosettes via cooperative hydrogen bond formation. The model description considers all possible stereoisomeric tape structures consisting of two to eight different components (270 different species in total) and one cyclic hexameric rosette structure. Furthermore

  在本文中，我们描述了通过协同氢键形成将 N,N-二取代三聚氰胺 1 和 N-取代氰尿酸或 5,5-二取代巴比妥酸衍生物 2 自组装成线性或起皱胶带和环状玫瑰花结的模型计算。模型描述考虑了所有可能的立体异构带结构，包括 2 到 8 种不同的成分（总共 270 种不同的物质）和一种环状六聚体花环结构。此外，包括八个空间参数 (R(12)-R(28))，代表组件内不同类型的空间相互作用。最重要的是，模型计算清楚地表明，带/花环比对直接影响花环结构内能的参数变化非常敏感。在这方面，已经表征了三个参数，即三聚氰胺和氰尿酸盐双分子缔合的基本平衡常数 K(0)、线性六聚体环化的平衡常数 K(r)/K(0) 和参数 R (12)-a(Z)b，代表相邻三聚氰胺和氰尿酸盐部分之间的吸引或排斥相互作用。例如，K(0) 从 100 增加到 10,000 M(-1)（[A](0) = [B](0) = 10 mM，K(r)
• Microwave assisted synthesis, docking and antimalarial evaluation of hybrid PABA‐substituted 1,3,5‐triazine derivatives
  作者：Nayana Adhikari、Ankita Kashyap、Anshul Shakya、Surajit Kumar Ghosh、Dibya Ranjan Bhattacharyya、Hans Raj Bhat、Udaya Pratap Singh

  DOI：10.1002/jhet.3955

  日期：2020.6

  A series of novel PABA‐substituted 1,3,5‐triazine derivatives were developed via microwave assisted synthesis and subsequently tested for antimalarial activity against chloroquine sensitive 3D7 strain of Plasmodium falciparum using chloroquine as standard. Antimalarial screening result showed that synthesized compounds exhibited IC50 in the range of 4.46 to 79.72 μg mL−1. Among the tested compounds

  通过微波辅助合成开发了一系列新颖的PABA取代的1,3,5-三嗪衍生物，随后使用氯喹作为标准品，测试了其对恶性疟原虫对氯喹敏感的3D7菌株的抗疟活性。抗疟疾筛查结果表明，合成化合物的IC 50为4.46至79.72μgmL -1。在测试的化合物中，4c和4f表现出显着的抗疟活性，且结合能（BE）低-172.32和160.41 kcal mol -1通过与1,3,5-三嗪连接的苯基的COOH参与与Arg122相互作用。总之，这些核心支架可用于未来的抗疟药物开发。
• Method for modifying melamine derivatives
  申请人：Nissan Chemical Industries, Ltd.

  公开号：US06307046B1

  公开（公告）日：2001-10-23

  The present invention provides a method for modifying melamine derivatives that can produce N-substituted melamine derivatives by introducing a substituent group to melamine or N-substituted melamine derivatives. The method is characterized by heating melamine or an N-substituted melamine derivative and an alcohol in the presence of a mixed catalyst comprising a hydrogenation catalyst and a dehydrogenation catalyst and hydrogen to allow reaction or heating melamine or an N-substituted melamine derivative and an alcohol in the presence of a hydrogenation catalyst and hydrogen with addition/coexistence of a metal to allow reaction. The compound groups obtained by introducing a substituent group to the amino group of melamine derivative with an alcohol by the method of the present invention can be used widely as intermediates of fine chemicals such as various agricultural chemicals, medicines, dyes, paints, etc. and as various resin materials and flame retardant materials.

  本发明提供了一种改性三聚氰胺衍生物的方法，该方法可以通过向三聚氰胺或N-取代三聚氰胺衍生物引入取代基团来产生N-取代三聚氰胺衍生物。该方法的特点是，在氢化催化剂和脱氢催化剂的混合催化剂和氢气的存在下，加热三聚氰胺或N-取代三聚氰胺衍生物和醇以允许反应，或在氢化催化剂和氢气的存在下，加热三聚氰胺或N-取代三聚氰胺衍生物和醇，并添加/共存于金属以允许反应。通过本发明方法将醇引入到三聚氰胺衍生物的氨基中，得到的化合物基团可以广泛用作各种农药、药品、染料、涂料等精细化学品的中间体，以及各种树脂材料和阻燃材料。
• Expoxy/acid anhydride composition
  申请人：Nissan Chemical Industries, Ltd.

  公开号：US06124381A1

  公开（公告）日：2000-09-26

  An epoxy/acid anhydride composition characterized by containing, as a curing accelerator, a substituted triazine of the formula [I] ##STR1## (wherein X is an amino group, C.sub.1-18 monoalkylamino group, di C.sub.1-18 alkylamino group, morpholino group, piperidino group, methyl group or phenyl group; R.sup.1 and R.sup.2 independently each represent C.sub.1-12 alkyl group, C.sub.1-12 hydroxyalkyl group, C.sub.4-8 cycloalkyl group, C.sub.5-9 cycloalkylmethyl group or C.sub.5-9 methylcycloalkyl group) in an epoxy/acid anhydride composition in which an epoxy compound and an acid anhydride-curing agent are contained, and an epoxy/acid anhydride resin composition prepared by thermosetting the epoxy/acid anhydride composition.

  一种环氧树脂/酸酐组合物，其特征在于其含有一种取代三嗪的固化促进剂，该取代三嗪的化学式为[I] ##STR1## （其中X为氨基，C.sub.1-18单烷基氨基，二C.sub.1-18烷基氨基，吗啉基，哌啶基，甲基或苯基；R.sup.1和R.sup.2各自独立地表示C.sub.1-12烷基，C.sub.1-12羟基烷基，C.sub.4-8环烷基，C.sub.5-9环烷基甲基或C.sub.5-9甲基环烷基）在环氧树脂/酸酐组合物中，该组合物中含有环氧化合物和酸酐固化剂，并通过热固化制备的环氧树脂/酸酐组合物。