2-[(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-methyl-amino]-ethanol

• 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-[(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-methyl-amino]-ethanol
• 英文别名: 2-((4,6-Dimethoxy-1,3,5-triazin-2-yl)(methyl)amino)ethanol；2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]ethanol
• 化学式: C₈H₁₄N₄O₃
• 分子量: 214.224
• InChiKey: XXAQHEVFBJEYJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  80.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-[(4-Chloro-6-methoxy-[1,3,5]triazin-2-yl)-methyl-amino]-ethanol 、 甲醇 在 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 为溶剂， 生成 2-[(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-methyl-amino]-ethanol
  参考文献：
  名称：

  靶向基于s-Triazine的杂种的疟原虫的红细胞和肝阶段

  摘要：

  筛选了基于s-三嗪的杂种的面向多样性的文库，以研究其对氯喹抗性恶性疟原虫W2菌株的活性。最惊人的结果是对含有一个或两个8-氨基喹啉部分的杂合分子的培养的红细胞阶段寄生虫具有亚微摩尔活性。这些化合物对人体细胞没有明显的毒性。然后筛选出最有效的血液杀schizontosdal s -triazine衍生物对抗疟原虫肝阶段的活性。所述š含有两个8-氨基喹啉结构部分和一个氯原子成为最有力的抵抗嗪混合伯氏疟原虫肝阶段感染，在低纳摩尔区域活跃，并在大鼠肝微粒体中具有良好的代谢稳定性。这些结果表明，基于s-三嗪-8-氨基喹啉的杂种作为双阶段抗疟药是铅优化的极佳起点。

  DOI：

  10.1002/cmdc.201500011

文献信息

• GLUTATHIONE-DETECTING FLUORESCENT PROBE
  申请人：THE UNIVERSITY OF TOKYO

  公开号：US20170045525A1

  公开（公告）日：2017-02-16

  [Problem] To provide the following: a novel fluorescent probe for detecting a compound, such as glutathione, that contains a —SH group; a detection method using said fluorescent probe; and a detection kit containing said probe. [Solution] A fluorescent probe for detecting a compound containing an —SH group, wherein the fluorescent probe comprises a compound represented by formula (I) or a salt thereof (In the formula, X represents Si(Ra)(R b ), Ge(R a )(R b ), Sn(R a )(R b ), C(R a )(R b ), or O (wherein R a and R b each independently represent a hydrogen atom or alkyl group); R 1 represents a hydrogen atom, or 1-4 identical or different substituents independently selected from the group consisting of a cyano group, alkyl group, carboxyl group, ester group, alkoxy group, amide group, and azide group, each of which may be optionally substituted; R 2 represents a hydrogen atom, halogen atom, hydroxyl group, cyano group, or an alkyl group, alkynyl group, alkoxy group, aryl, or heteroaryl, each of which may be optionally substituted; R 3 and R 4 each independently represent a hydrogen atom or 1-3 identical or different substituents independently selected from the group consisting of a hydroxyl group, halogen atom, or an alkyl group, sulfo group, carboxyl group, ester group, amide group and azide group, each of which may be optionally substituted; R 5 , R 6 , R 7 and R 8 each independently represent a hydrogen atom or alkyl group, wherein, R 5 or R 6 , respectively together with R 3 , may form a ring structure including the nitrogen atoms bonded thereto, or R 7 or R 8 , respectively together with R 4 , may form a ring structure including the nitrogen atoms bonded thereto).

  提供以下内容：用于检测含有-SH基团的化合物（如谷胱甘肽）的新型荧光探针；使用所述荧光探针的检测方法；以及包含所述探针的检测试剂盒。解决方案：一种用于检测含有-SH基团的化合物的荧光探针，其中所述荧光探针包括由式（I）表示的化合物或其盐（在该式中，X表示Si（Ra）（Rb）、Ge（Ra）（Rb）、Sn（Ra）（Rb）、C（Ra）（Rb）或O（其中Ra和Rb各自独立地表示氢原子或烷基）；R1表示氢原子，或者独立选择自氰基、烷基、羧基、酯基、烷氧基、酰胺基和叠氮基的一致或不同的1-4个取代基，每个取代基可以选择性地被取代；R2表示氢原子、卤素原子、羟基、氰基或烷基、炔基、烷氧基、芳基或杂环芳基的一致或不同的取代基，每个取代基可以选择性地被取代；R3和R4各自独立地表示氢原子或独立选择自羟基、卤素原子或烷基、磺酰基、羧基、酯基、酰胺基和叠氮基的一致或不同的1-3个取代基，每个取代基可以选择性地被取代；R5、R6、R7和R8各自独立地表示氢原子或烷基，其中，R5或R6，分别与R3一起，可以形成包括与其相结合的氮原子的环结构，或者R7或R8，分别与R4一起，可以形成包括与其相结合的氮原子的环结构）。
• Synthesis of 2,4,6-Tri-substituted-1,3,5-Triazines
  作者：Carlos Afonso、Nuno Lourenco、Andreia Rosatella

  DOI：10.3390/11010081

  日期：——

  Several specific synthetic protocols were developed for the preparation from cyanuric chloride of a range of symmetric and non-symmetric di- and tri-substituted 1,3,5-triazines containing alkyl, aromatic, hindered, chiral and achiral hydroxyalkyl, ester and imidazole groups via sequential nucleophilic substitution of the C-Cl bond by C-O, C-N and C-S bonds.

  开发了几种特定的合成方法，通过对氰尿酸氯化物进行一系列的对称和非对称的二取代和三取代1,3,5-三嗪的制备，这些衍生物包含烷基、芳香烃、阻碍型、手性和非手性羟烷基、酯和咪唑基团，采用C-Cl键的逐步亲核取代反应，形成C-O、C-N和C-S键。
• Glutathione-detecting fluorescent probe
  申请人：THE UNIVERSITY OF TOKYO

  公开号：US10261090B2

  公开（公告）日：2019-04-16

  [Problem] To provide the following: a novel fluorescent probe for detecting a compound, such as glutathione, that contains a —SH group; a detection method using said fluorescent probe; and a detection kit containing said probe. [Solution] A fluorescent probe for detecting a compound containing an —SH group, wherein the fluorescent probe comprises a compound represented by formula (I) or a salt thereof (In the formula, X represents Si(Ra)(Rb), Ge(Ra)(Rb), Sn(Ra)(Rb), C(Ra)(Rb), or O (wherein Ra and Rb each independently represent a hydrogen atom or alkyl group); R1 represents a hydrogen atom, or 1-4 identical or different substituents independently selected from the group consisting of a cyano group, alkyl group, carboxyl group, ester group, alkoxy group, amide group, and azide group, each of which may be optionally substituted; R2 represents a hydrogen atom, halogen atom, hydroxyl group, cyano group, or an alkyl group, alkynyl group, alkoxy group, aryl, or heteroaryl, each of which may be optionally substituted; R3 and R4 each independently represent a hydrogen atom or 1-3 identical or different substituents independently selected from the group consisting of a hydroxyl group, halogen atom, or an alkyl group, sulfo group, carboxyl group, ester group, amide group and azide group, each of which may be optionally substituted; R5, R6, R7 and R8 each independently represent a hydrogen atom or alkyl group, wherein, R5 or R6, respectively together with R3, may form a ring structure including the nitrogen atoms bonded thereto, or R7 or R8, respectively together with R4, may form a ring structure including the nitrogen atoms bonded thereto).

  [问题]提供以下内容：一种用于检测含有-SH基团的化合物（如谷胱甘肽）的新型荧光探针；一种使用所述荧光探针的检测方法；以及一种含有所述探针的检测试剂盒。 [解]一种用于检测含有-SH基团的化合物的荧光探针，其中所述荧光探针包括由式（I）代表的化合物或其盐 （式中，X代表Si(Ra)(Rb)、Ge(Ra)(Rb)、Sn(Ra)(Rb)、C(Ra)(Rb)或O（其中Ra和Rb各自独立地代表氢原子或烷基）；R1 代表氢原子，或 1-4 个相同或不同的取代基，这些取代基独立地选自氰基、烷基、羧基、酯基、烷氧基、酰胺基和叠氮基组成的组，其中每个取代基可任选被取代；R2 代表氢原子、卤素原子、羟基、氰基或烷基、炔基、烷氧基、芳基或杂芳基，其中每个取代基可任选被取代；R3 和 R4 各自独立地代表一个氢原子或 1-3 个相同或不同的取代基，这些取代基独立地选 自羟基、卤素原子或烷基、磺基、羧基、酯基、酰胺基和叠氮基组成的组，其中每个取代基可选 择性地被取代；R5、R6、R7 和 R8 各自独立地代表氢原子或烷基，其中，R5 或 R6 分别与 R3 一起可形成包括以其键合的氮原子在内的环状结构，或 R7 或 R8 分别与 R4 一起可形成包括以其键合的氮原子在内的环状结构）。
• US3981829A
  申请人：——

  公开号：US3981829A

  公开（公告）日：1976-09-21
• Targeting the Erythrocytic and Liver Stages of Malaria Parasites with<i>s</i>-Triazine-Based Hybrids
  作者：Catarina A. B. Rodrigues、Raquel F. M. Frade、Inês S. Albuquerque、Maria J. Perry、Jiri Gut、Marta Machado、Philip J. Rosenthal、Miguel Prudêncio、Carlos A. M. Afonso、Rui Moreira

  DOI：10.1002/cmdc.201500011

  日期：2015.5

  result was sub‐micromolar activity against cultured erythrocytic‐stage parasites of hybrid molecules containing one or two 8‐aminoquinoline moieties. These compounds were not clearly toxic to human cells. The most effective blood‐schizontocidal s‐triazine derivatives were then screened for activity against the liver stage of malaria parasites. The s‐triazine hybrid containing two 8‐aminoquinoline moieties

  筛选了基于s-三嗪的杂种的面向多样性的文库，以研究其对氯喹抗性恶性疟原虫W2菌株的活性。最惊人的结果是对含有一个或两个8-氨基喹啉部分的杂合分子的培养的红细胞阶段寄生虫具有亚微摩尔活性。这些化合物对人体细胞没有明显的毒性。然后筛选出最有效的血液杀schizontosdal s -triazine衍生物对抗疟原虫肝阶段的活性。所述š含有两个8-氨基喹啉结构部分和一个氯原子成为最有力的抵抗嗪混合伯氏疟原虫肝阶段感染，在低纳摩尔区域活跃，并在大鼠肝微粒体中具有良好的代谢稳定性。这些结果表明，基于s-三嗪-8-氨基喹啉的杂种作为双阶段抗疟药是铅优化的极佳起点。