2-(2-chloroethoxy)-4,6-dichloro-sym-triazine | 4742-41-0

• 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-(2-chloroethoxy)-4,6-dichloro-sym-triazine
• 英文别名: 2,4-dichloro-6-(2-chloroethoxy)-1,3,5-triazine；2-(2-Chloroethoxy)-4,6-dichloro-symm-triazine
• CAS: 4742-41-0
• 化学式: C₅H₄Cl₃N₃O
• 分子量: 228.465
• InChiKey: DPDCFJXJUFDVIX-UHFFFAOYSA-N

物化性质

• 沸点：
  102-104 °C(Press: 0.1 Torr)
• 密度：
  1.5262 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2-chloroethoxy)-4,6-dichloro-sym-triazine 在 sodium hydroxide 、 水 作用下， 以 丙酮 为溶剂， 生成 4-Chloro-6-(2-chloro-ethoxy)-[1,3,5]triazin-2-ol
  参考文献：
  名称：

  Marchukov, V. A.; Nikitin, O. A.; V'yunov, K. A., Russian Journal of Organic Chemistry, 1984, vol. 20, # 3, p. 588 - 592

  摘要：

  DOI：
• 作为产物：
  描述：

  三聚氯氰 生成 2-(2-chloroethoxy)-4,6-dichloro-sym-triazine
  参考文献：
  名称：

  KORYAKOV, N. YA.;KOSHOKOV, A. B.;SELIVANOV, V. F.;TSELINSKIJ, I. V.;KRAUK+

  摘要：

  DOI：

文献信息

• “Onion peel” glycodendrimer syntheses using mixed triazine and cyclotriphosphazene scaffolds
  作者：Rahul S. Bagul、Maryam M. Hosseini、Tze Chieh Shiao、René Roy

  DOI：10.1139/cjc-2017-0220

  日期：2017.9

  reaction (TEC), allowed rapid build-up of glycodendrimers in contrast to traditional dendrimers syntheses that are based on the repetitive use of identical building blocks to form each layer. The newly formed glycodendrimers were evaluated for their capacity to cross-link carbohydrate-lectin interactions using dynamic light scattering (DLS). Rapid increase in particle size was observed as a function of

  使用新发现的“洋葱皮”策略说明了一种用于构建树枝状聚合物的快速合成方案。洋葱皮方法和正交耦合策略是通过合理设计氰尿酸的顺序修饰来实现的。精心选择的结构单元及其通过化学选择性原子经济点击反应的有效连接，即 Cu (I) 叠氮化物-炔烃环加成反应 (CuAAC) 和光催化硫醇 - 烯反应 (TEC)，与传统树枝状聚合物相比，可以快速构建多糖基于重复使用相同的构建块来形成每一层的合成。使用动态光散射 (DLS) 评估了新形成的树枝状大分子交联碳水化合物-凝集素相互作用的能力。
• Tailoring the Substitution Pattern on 1,3,5-Triazine for Targeting Cyclooxygenase-2: Discovery and Structure–Activity Relationship of Triazine–4-Aminophenylmorpholin-3-one Hybrids that Reverse Algesia and Inflammation in Swiss Albino Mice
  作者：Palwinder Singh、Sukhmeet Kaur、Priya Kumari、Baljit Kaur、Manpreet Kaur、Gurjit Singh、Rajbir Bhatti、Manpreet Bhatti

  DOI：10.1021/acs.jmedchem.8b00922

  日期：2018.9.13

  Here, we report analgesic and anti-inflammatory activity of a series of compounds obtained by appending 4-aminophenylmorpholin-3-one and acyclic, cyclic, or hetero-cyclic moieties on 1,3,5-triazine. The structures of compounds 4b and 6b are optimized for the best inhibition of COX-2 with IC50 values of 0.06 and 0.08 mu M, respectively, and selectivity over COX-1 of 166 and >125, respectively. At the dose of 5 mg kg(-1), these compounds significantly reduced acetic acid induced writhings, and their ED50 values were found to be 2.2 and 1.9 mg kg(-1), respectively. Besides the cell-based and animal-based experiments showing the modes of action of these compounds targeting COX-2, the interaction behavior of 4b with COX-2 was also characterized, with physicochemical experiments including ITC, NMR, UV-vis, and molecular-modeling studies. Characteristically, these compounds interact with R120, Y355, and W385, the residues responsible for holding the substrate and mediating the process of electron transfer during the metabolic phase of the enzyme.
• Koryakov; Koshokov; Nikitin, Journal of applied chemistry of the USSR, 1986, vol. 59, # 6 pt 2, p. 1309 - 1310
  作者：Koryakov、Koshokov、Nikitin、Marchukov、V'yunov

  DOI：——

  日期：——
• Marchukov, V. A.; Nikitin, O. A.; V'yunov, K. A., Journal of Organic Chemistry USSR (English Translation), 1983, p. 2282 - 2286
  作者：Marchukov, V. A.、Nikitin, O. A.、V'yunov, K. A.、Ginak, A. I.

  DOI：——

  日期：——
• Marchukov, V.A.; Nikitin, O.A.; V'yunov, K.A., Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, # 3, p. 530 - 533
  作者：Marchukov, V.A.、Nikitin, O.A.、V'yunov, K.A.、Ginak, A.I.

  DOI：——

  日期：——