6-chloro-N(2),N(4)-bis(3-nitrophenyl)-1,3,5-triazine-2,4-diamine | 2352-34-3

• 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-chloro-N(2),N(4)-bis(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
• 英文别名: 6-chloro-N,N'-bis-(3-nitro-phenyl)-[1,3,5]triazine-2,4-diamine；6-Chlor-2.4-bis-<3-nitro-anilino>-<1.3.5>triazin；2-Chlor-4.6-bis-<3-nitro-anilino>-1.3.5-triazin；2-Chlor-4.6-bis-<3-nitro-anilino>-s-triazin；1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(3-nitrophenyl)-；6-chloro-2-N,4-N-bis(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
• CAS: 2352-34-3
• 化学式: C₁₅H₁₀ClN₇O₄
• 分子量: 387.742
• InChiKey: AGBZKYMOVOEFJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  154
• 氢给体数：
  2
• 氢受体数：
  9

安全信息

• 海关编码：
  2933699090

反应信息

• 作为反应物：
  描述：

  6-chloro-N(2),N(4)-bis(3-nitrophenyl)-1,3,5-triazine-2,4-diamine 在 氨 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 N,N'-Bis-(3-nitro-phenyl)-N''-[1-phenyl-meth-(E)-ylidene]-[1,3,5]triazine-2,4,6-triamine
  参考文献：
  名称：

  Kamdar; Chavda; Parikh, Journal of the Indian Chemical Society, 1987, vol. 64, # 5, p. 298 - 301

  摘要：

  DOI：
• 作为产物：
  描述：

  间硝基苯胺 以 四氢呋喃 为溶剂， 生成 6-chloro-N(2),N(4)-bis(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  二，三取代的1,3,5-三嗪的设计，合成，抗菌活性及构效关系

  摘要：

  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。

  DOI：

  10.2174/157018012799129846

文献信息

• Discovery of novel 1,3,5-triazine-thiazolidine-2,4-diones as dipeptidyl peptidase-4 inhibitors with antibacterial activity targeting the S1 pocket for the treatment of type 2 diabetes
  作者：Jitendra Kumar Srivastava、Pragya Dubey、Saumya Singh、Hans Raj Bhat、Mukesh Kumar Kumawat、Udaya Pratap Singh

  DOI：10.1039/c4ra16903d

  日期：——

  A novel series of 1,3,5-triazine-thiazolidine-2,4-diones was synthesized and characterized by a number of analytical and spectroscopic techniques.

  合成并通过多种分析和光谱技术表征了一系列1,3,5-三嗪-噻唑啉-2,4-二酮的新颖系列。
• Design and one-pot synthesis of hybrid thiazolidin-4-one-1,3,5-triazines as potent antibacterial agents against human disease-causing pathogens
  作者：Sudhir Kumar、Hans Raj Bhat、Mukesh Kumar Kumawat、Udaya Pratap Singh

  DOI：10.1039/c2nj41028a

  日期：——

  An efficient and general one-pot reaction to a novel series of hybrid thiazolidine-4-one-1,3,5-triazine derivatives was developed. The easy work-up of the products, rapid reaction, and mild conditions are notable features of this protocol. These molecules were found to exhibit potent activity against a panel of Gram-positive and Gram-negative micro-organisms.

  本研究开发了一种高效、通用的一锅反应，可生成一系列新型杂化噻唑烷-4-酮-1,3,5-三嗪衍生物。该方案的显著特点是产品易于加工、反应迅速、条件温和。研究发现，这些分子对一系列革兰氏阳性和革兰氏阴性微生物具有强效活性。
• Structure-guided discovery of 1,3,5-triazine–pyrazole conjugates as antibacterial and antibiofilm agent against pathogens causing human diseases with favorable metabolic fate
  作者：Babita Singh、Hans Raj Bhat、Mukesh Kumar Kumawat、Udaya Pratap Singh

  DOI：10.1016/j.bmcl.2014.05.103

  日期：2014.8

  Impressed by the exceptional antibacterial activity exhibited by our earlier designed molecules originating from 1,3,5-triazine, the present study was undertaken to synthesize a novel series of 1,3,5-triazine-pyrazole conjugates to bring diversity around the core skeleton. The target analogues showed potent antibacterial activity against tested Gram-positive and Gram-negative microorganisms. The toxicity and metabolic site prediction studies were also held out to set an effective lead candidate for the future antibacterial drug discovery initiatives. (C) 2014 Elsevier Ltd. All rights reserved.
• Synthesis and biological evaluation of some new 3,4-dihydropyrimidin-4-ones
  作者：Jayesh Modha、Neela Datta、Hansa Parekh

  DOI：10.1016/s0014-827x(01)01118-1

  日期：2001.8

  Condensation of 5-cyano-2-hydrazino-3-N-methyl-6-phenyl/p-chlorophenyl-3,4-dihydropyrimidin-4-one (3a and 3b) with 2 4-bisalkyl/arylamino-6-chloro-s-triazine (4) gave the corresponding 2,4-bisalkyl/arylamino-6-[5'-cyano-3'-N-methyl]-6'-phenyl/p-chlorophenyl-3',4'-dihydropyrimidin-4'-one-2'-yl-hydrazino-s-triazines (5a-n and 6a-n). The compounds 4 have been prepared by the condensation of cyanuric chloride and different alkyl/aryl amines. The reaction between 5-cyano-3-N-methyl-2-methylthio-6-phenyl/p-chlorophenyl-3,4-dihydropyrimidin-4-one (2a and 2b) with hydrazine hydrate furnished 3a and 3b, respectively. The condensation of 6-phenyl/p-chlorophenyl/5-cyano-2-mercapto-3,4-dihydropyrimidin-4-one (1a and 1b) with methyl iodide yielded 2a and 2b, respectively. All the products have been evaluated in vitro for their antimicrobial activity against several microbes and antitubercular activity against Mycobacterium tuberculosis H37 Rv. (C) 2001 Elsevier Science S.A. All rights reserved.
• Mehta, Lina; Parekh, Hansa, Journal of the Indian Chemical Society, 1986, vol. 63, p. 414 - 416
  作者：Mehta, Lina、Parekh, Hansa

  DOI：——

  日期：——