2-Aethylamino-4-anilino-6-chlor-s-triazin | 53773-08-3

• 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: 2-Aethylamino-4-anilino-6-chlor-s-triazin
• 英文别名: 6-chloro-N-ethyl-N'-phenyl-[1,3,5]triazine-2,4-diamine；1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-phenyl-；6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
• CAS: 53773-08-3
• 化学式: C₁₁H₁₂ClN₅
• mdl: MFCD23471071
• 分子量: 249.703
• InChiKey: WKGKIZFYYWEEHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  62.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  potassium cyanide 、 2-Aethylamino-4-anilino-6-chlor-s-triazin 以 二甲基亚砜 为溶剂， 反应 0.17h， 以200 mg的产率得到4-(ethylamino)-6-(phenylamino)-1,3,5-triazine-2-carbonitrile
  参考文献：
  名称：

  Identification and Optimization of Inhibitors of Trypanosomal Cysteine Proteases: Cruzain, Rhodesain, and TbCatB

  摘要：

  Trypanosoma cruzi and Trypanosoma brucei are parasites that cause Chagas' disease and African sleeping sickness, respectively. Both parasites rely oil essential cysteine proteases for survival: cruzain for T. cruzi and TbCatB/rhodesain for T. brucei. A recent quantitative high-throughput screen of cruzain identified triazine nitriles. which are known inhibitors of other cysteine proteases, its reversible inhibitors of the enzyme. Structural modifications detailed herein, including core scaffold modification from triazine to purine, improved the in vitro potency against both cruzain and rhodesain by 350-fold, while also gaining activity against T. brucei parasites. Selected compounds were screened against it panel of human cysteine and serine proteases to determine selectivity, and it cocrystal was obtained of our most potent analogue bound to cruzain.

  DOI：

  10.1021/jm901069a
• 作为产物：
  描述：

  4,6-二氯-2-乙氨基-1,3,5-均三嗪 、 苯胺 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.08h， 生成 2-Aethylamino-4-anilino-6-chlor-s-triazin
  参考文献：
  名称：

  Identification and Optimization of Inhibitors of Trypanosomal Cysteine Proteases: Cruzain, Rhodesain, and TbCatB

  摘要：

  Trypanosoma cruzi and Trypanosoma brucei are parasites that cause Chagas' disease and African sleeping sickness, respectively. Both parasites rely oil essential cysteine proteases for survival: cruzain for T. cruzi and TbCatB/rhodesain for T. brucei. A recent quantitative high-throughput screen of cruzain identified triazine nitriles. which are known inhibitors of other cysteine proteases, its reversible inhibitors of the enzyme. Structural modifications detailed herein, including core scaffold modification from triazine to purine, improved the in vitro potency against both cruzain and rhodesain by 350-fold, while also gaining activity against T. brucei parasites. Selected compounds were screened against it panel of human cysteine and serine proteases to determine selectivity, and it cocrystal was obtained of our most potent analogue bound to cruzain.

  DOI：

  10.1021/jm901069a

文献信息

• WEATHER-RESISTANT DYE AND THE USE THEREOF
  申请人：Ninestar Management Co., Ltd.

  公开号：EP2298839A1

  公开（公告）日：2011-03-23

  The invention is related to a weather-resistant dye and use thereof, which contains in molecules thereof not only chromophoric parent D, but also electron-accepting group Q which is linked with dye parent D through non-conjugated carbon link L to constitute D-L-Q dye molecule; the electron-accepting group Q has such a HOMO energy level that is lower than the HOMO energy level of the dye chromophoric parent D. The dye has sun-resistance and anti-ozone performances, which can be used as colorant in the ink, dope, lacquer, toner powder for laser printing, marker, paper, fabric, glass, porcelain or polymer.

  本发明涉及一种耐候性染料及其用途，其分子中不仅含有发色母体D，还含有通过非共轭碳链L与染料母体D连接构成D-L-Q染料分子的受电子基团Q；受电子基团Q的HOMO能级低于染料发色母体D的HOMO能级。该染料具有耐晒和抗臭氧性能，可用作墨水、涂料、油漆、激光打印墨粉、记号笔、纸张、织物、玻璃、陶瓷或聚合物的着色剂。
• Weather-Resistant Dye And Use Thereof
  申请人：Peng Xiaojun

  公开号：US20110168053A1

  公开（公告）日：2011-07-14

  The invention is related to a weather-resistant dye and use thereof, which contains in molecules thereof not only chromophoric parent D, but also electron-accepting group Q which is linked with dye parent D through non-conjugated carbon link L to constitute D-L-Q dye molecule; the electron-accepting group Q has such a HOMO energy level that is lower than the HOMO energy level of the dye chromophoric parent D. The dye has sun-resistance and anti-ozone performances, which can be used as colorant in the ink, dope, lacquer, toner powder for laser printing, marker, paper, fabric, glass, porcelain or polymer.
• Identification and Optimization of Inhibitors of Trypanosomal Cysteine Proteases: Cruzain, Rhodesain, and TbCatB
  作者：Bryan T. Mott、Rafaela S. Ferreira、Anton Simeonov、Ajit Jadhav、Kenny Kean-Hooi Ang、William Leister、Min Shen、Julia T. Silveira、Patricia S. Doyle、Michelle R. Arkin、James H. McKerrow、James Inglese、Christopher P. Austin、Craig J. Thomas、Brian K. Shoichet、David J. Maloney

  DOI：10.1021/jm901069a

  日期：2010.1.14

  Trypanosoma cruzi and Trypanosoma brucei are parasites that cause Chagas' disease and African sleeping sickness, respectively. Both parasites rely oil essential cysteine proteases for survival: cruzain for T. cruzi and TbCatB/rhodesain for T. brucei. A recent quantitative high-throughput screen of cruzain identified triazine nitriles. which are known inhibitors of other cysteine proteases, its reversible inhibitors of the enzyme. Structural modifications detailed herein, including core scaffold modification from triazine to purine, improved the in vitro potency against both cruzain and rhodesain by 350-fold, while also gaining activity against T. brucei parasites. Selected compounds were screened against it panel of human cysteine and serine proteases to determine selectivity, and it cocrystal was obtained of our most potent analogue bound to cruzain.