4,6-dichloro-[1,3,5]triazin-2-yl-4-methoxy-benzyl-amine | 256931-40-5

• 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: 4,6-dichloro-[1,3,5]triazin-2-yl-4-methoxy-benzyl-amine
• 英文别名: 2-(4-methoxybenzylamino)-4,6-dichloro-1,3,5-triazine；N-(4-methoxybenzyl)-2-amino-4,6-dichloro-1,3,5-triazine；4,6-dichloro-2-(4-methoxybenzylamino)-1,3,5-triazine；4,6-dichloro-N-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine
• CAS: 256931-40-5
• 化学式: C₁₁H₁₀Cl₂N₄O
• mdl: MFCD17433053
• 分子量: 285.133
• InChiKey: JMLLKKWHRRNZKK-UHFFFAOYSA-N

物化性质

• 熔点：
  113.0-115.0 °C
• 沸点：
  500.2±52.0 °C(Predicted)
• 密度：
  1.446±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 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：
  59.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-甲氧基苄胺 、 4,6-dichloro-[1,3,5]triazin-2-yl-4-methoxy-benzyl-amine 生成 2-chloro-4,6-di(4-methoxybenzylamino)-1,3,5-triazine
  参考文献：
  名称：

  A Novel Microtubule Destabilizing Entity from Orthogonal Synthesis of Triazine Library and Zebrafish Embryo Screening

  摘要：

  The first orthogonal combinatorial synthesis of a high-purity triazine library was demonstrated. Novel triazine-based microtubule inhibitors were discovered by an efficient zebrafish embryo screening and in vitro microtubule polymerization assay.

  DOI：

  10.1021/ja026720i
• 作为产物：
  描述：

  三聚氯氰 、 4-甲氧基苄胺 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以75.2%的产率得到4,6-dichloro-[1,3,5]triazin-2-yl-4-methoxy-benzyl-amine
  参考文献：
  名称：

  固相合成1,3,5-取代的三嗪的新型正交策略。

  摘要：

  [反应：见正文]为改进先前合成三嗪文库的正交方法，已通过将硫醚氧化活化为砜开发了另一种策略。通过对这两种方法的比较，证明了砜策略是生成高纯度三嗪文库化合物的一种增强方法。

  DOI：

  10.1021/ol027195v

文献信息

• [EN] mTORC1 INHIBITORS FOR ACTIVATING AUTOPHAGY<br/>[FR] INHIBITEURS DE MTORC1 POUR ACTIVER L'AUTOPHAGIE
  申请人：UNIV CALIFORNIA

  公开号：WO2020146779A1

  公开（公告）日：2020-07-16

  Described herein, inter alia, are compounds and methods useful for increasing autophagy.

  本文描述了一些化合物和方法，用于增加自噬作用。
• Novel Orthogonal Strategy toward Solid-Phase Synthesis of 1,3,5-Substituted Triazines
  作者：Jacqueline T. Bork、Jae Wook Lee、Sonya M Khersonsky、Ho-Sang Moon、Young-Tae Chang

  DOI：10.1021/ol027195v

  日期：2003.1.1

  [reaction: see text] To improve upon the previous orthogonal method for synthesis of a triazine library, an alternative strategy has been developed via oxidation-activation of the thioether to the sulfone. Through a comparison between these two methods, the sulfone strategy was demonstrated as an enhanced method in the generation of highly pure triazine library compounds.

  [反应：见正文]为改进先前合成三嗪文库的正交方法，已通过将硫醚氧化活化为砜开发了另一种策略。通过对这两种方法的比较，证明了砜策略是生成高纯度三嗪文库化合物的一种增强方法。
• Solid phase synthesis of novel biaryl triazine library by suzuki cross coupling
  申请人：NEW YORK UNIVERSITY

  公开号：US20040225125A1

  公开（公告）日：2004-11-11

  Two methods are used to produce diaryl trisubstituted triazines. In the first method, cyanuric chloride is first reacted with a 4-alkoxybenzylamine. The product of this reaction is then reacted with a resin-bound amine, such as 4-alkoxybenzylamine, to ensure that the final compound will be bound to a resin. The product of this reaction is then reacted with boronic acid to produce a trisubstituted diaryl triazine. In the second method, cyanuric chloride is reacted with a benzenealkanethiol. The product of this reaction is then reacted with a resin-bound amine, such as 4-alkoxybenzylamine, to ensure that the final compound will be bound to a resin. The product of this reaction is then reacted with m-CPBA to form a sulfone, which is then reacted with a 4-alkoxybenzylamine to form the desired trisubstituted biaryltriazine.

  有两种方法可以制备二苯基三取代三嗪。第一种方法是，首先将氰尿酸氯与4-烷氧基苯甲胺反应。然后将该反应产物与树脂结合胺（如4-烷氧基苯甲胺）反应，以确保最终化合物与树脂结合。然后将该反应产物与硼酸反应，以产生三取代二苯基三嗪。第二种方法是，将氰尿酸氯与苯基烷硫醇反应。然后将该反应产物与树脂结合胺（如4-烷氧基苯甲胺）反应，以确保最终化合物与树脂结合。然后将该反应产物与m-CPBA反应形成烷基磺酰，然后再与4-烷氧基苯甲胺反应形成所需的三取代联苯三嗪。
• Pyrazole derivatives and salts thereof
  申请人：Daiichi Pharmaceuticals Co., Ltd.

  公开号：US06573377B1

  公开（公告）日：2003-06-03

  This invention provides compounds having antitumor effect, namely a compound represented by the following formula (I) or (Ia) having various substituents in which G and G1 are condensed tricyclic heterocyclic rings or salts thereof, and a compound represented by the following formula (Ib) having various substituents or salts thereof.

  本发明提供了具有抗肿瘤作用的化合物，即具有不同取代基的以下式(I)或(Ia)所表示的化合物，其中G和G1是缩合的三环杂环或其盐，以及具有不同取代基或其盐的以下式(Ib)所表示的化合物。
• PYRAZOLE DERIVATIVES AND SALTS THEREOF
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1103551A1

  公开（公告）日：2001-05-30

  This invention provides compounds having antitumor effect, namely a compound represented by the following formula (I) or (Ia) having various substituents in which G and G1 are condensed tricyclic heterocyclic rings or salts thereof, and a compound represented by the following formula (Ib) having various substituents or salts thereof.

  本发明提供了具有抗肿瘤作用的化合物，即具有各种取代基的下式（I）或（Ia）所代表的化合物（其中 G 和 G1 是缩合三环杂环）或其盐，以及具有各种取代基的下式（Ib）所代表的化合物或其盐。