2,4-二氯-6-甲硫基-S-三嗪 | 13705-05-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: 2,4-二氯-6-甲硫基-S-三嗪
• 中文别名: 2,4-二氯-6-(甲硫基)-1,3,5-三嗪
• 英文名称: 2,4-dichloro-6-(methylthio)-1,3,5-triazine
• 英文别名: 2-methylthio-4,6-dichloro-1,3,5-triazine；2,4-dichloro-6-methylsulfanyl-1,3,5-triazine
• CAS: 13705-05-0
• 化学式: C₄H₃Cl₂N₃S
• 分子量: 196.06
• InChiKey: MWPZLWRHHPWTFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  64
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933699090

反应信息

• 作为反应物：
  描述：

  2,4-二氯-6-甲硫基-S-三嗪 、 2,6-二甲基苯基溴化镁 以 四氢呋喃 为溶剂， 反应 18.0h， 以58.1%的产率得到2-chloro-4-(2,6-dimethylphenyl)-6-(methylthio)-1,3,5-triazine
  参考文献：
  名称：

  Small Molecule Binding Sites on the Ras:SOS Complex Can Be Exploited for Inhibition of Ras Activation

  摘要：

  Constitutively active mutant KRas displays a reduced rate of GTP hydrolysis via both intrinsic and GTPase-activating protein-catalyzed mechanisms, resulting in the perpetual activation of Ras pathways. We describe a fragment screening campaign using X-ray crystallography that led to the discovery of three fragment binding sites on the Ras:SOS complex. The identification of tool compounds binding at each of these sites allowed exploration of two new approaches to Ras pathway inhibition by stabilizing or covalently modifying the Ras:SOS complex to prevent the reloading of Ras with GTP. Initially, we identified ligands that bound reversibly to the Ras:SOS complex in two distinct sites, but these compounds were not sufficiently potent inhibitors to validate our stabilization hypothesis. We conclude by demonstrating that covalent modification of Cys118 on Ras leads to a novel mechanism of inhibition of the SOS-mediated interaction between Ras and Raf and is effective at inhibiting the exchange of labeled GDP in both mutant (G12C and G12V) and wild type Ras.

  DOI：

  10.1021/jm501660t
• 作为产物：
  描述：

  三聚氯氰 、 sodium thiomethoxide 以 甲苯 为溶剂， 反应 1.0h， 以From the organic phase there could be isolated about 90% of 2-methylmercapto-4,6-dichloro-s-triazine的产率得到2,4-二氯-6-甲硫基-S-三嗪
  参考文献：
  名称：

  Process for the production of optionally substituted

  摘要：

  2-巯基-4,6-二氯-s-三嗪或取代的2-巯基-4,6-二氯-s-三嗪可通过已知的氰尿酸氯与巯基或巯基盐在酸中和剂的存在下反应来生产，通过在高混合速度下工作，从而在高反应速度下获得小型管式容器中的高通量，通过在混合装置的上部通过喷嘴引入液态氰尿酸与自下而上流动的反应物和至少一个下部喷嘴引入的酸中和剂在下部开放部分的乳房形状狭窄处进行逆流混合。该过程可以在正常、降低或升高的压力下进行。

  公开号：

  US04259487A1

文献信息

• [EN] ARYLAMINE DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT<br/>[FR] DERIVES ARYLAMINES ET LEUR APPLICATION COMME AGENT ANTITELOMERASE
  申请人：AVENTIS PHARMA SA

  公开号：WO2001040218A1

  公开（公告）日：2001-06-07

  La présente invention est relative à la thérapie du cancer et concerne de nouveaux agents anticancéreux ayant un mécanisme d'action bien particulier. Elle concerne aussi de nouveaux composés chimiques ainsi que leur application thérapeutique chez l'homme.

  本发明涉及癌症治疗，并涉及具有特定作用机制的新型抗癌剂。它还涉及新的化合物以及它们在人类治疗中的应用。
• Bis-triazinylaminostilbene compounds and their use as fluorescent
  申请人：Ciba-Geigy Corporation

  公开号：US04212763A1

  公开（公告）日：1980-07-15

  Bis-triazinylaminostilbene compounds of the formula ##STR1## in which R.sub.1 is alkyl, alkenyl, cyclohexyl or phenylalkyl, R.sub.2 is hydrogen, alkyl, cyclohexyl, benzyl, alkyl which is substituted by hydroxyl, cyano, sulpho or carbamoyl, alkoxyalkyl or hydroxyalkoxyalkyl or alkoxyalkoxyalkyl or mono- or di-alkylaminoalkyl, and R.sub.3 is hydrogen, alkyl, alkyl which is substituted by hydroxyl, cyano or sulpho, or alkoxyalkyl or hydroxyalkoxyalkyl or R.sub.2 and R.sub.3 together with the nitrogen atom to which they are bonded are a morpholine ring or a pyrrolidine, piperidine, hexamethyleneimine or piperazine ring which is unsubstituted or substituted by 1 or 2 alkyl groups, and M is hydrogen or an alkali metal, ammonium or amine ion, and, if R.sub.2 or R.sub.3 is hydroxyalkyl, R.sub.1 is methyl, cyclohexyl or alkenyl only, and their use as fluorescent brightening agents for organic material of high molecular weight are disclosed.

  公式为##STR1##的双三嗪基氨基苯乙烯化合物，其中R.sub.1是烷基，烯基，环己基或苯基烷基，R.sub.2是氢，烷基，环己基，苄基，被羟基，氰基，磺酸基或氨基甲酰基取代的烷基，烷氧基烷基或羟基氧基烷氧基烷基或单烷基或双烷基氨基烷基，R.sub.3是氢，烷基，被羟基，氰基或磺酸基取代的烷基，烷氧基烷基或羟基氧基烷氧基烷基或R.sub.2和R.sub.3与它们结合的氮原子一起形成吗啡环或吡咯烷，哌啶，己亚甲基亚胺或哌嗪环，该环未取代或被1或2个烷基取代，M是氢或碱金属，铵离子或胺离子，如果R.sub.2或R.sub.3是羟基氧基烷氧基烷基，则R.sub.1仅为甲基，环己基或烯基，且其作为高分子有机材料的荧光增白剂的用途被揭示。
• Chemical derivatives and their application as antitelomerase agent
  申请人：Aventis Pharms S.A.

  公开号：US20040053966A1

  公开（公告）日：2004-03-18

  The present invention relates to cancer therapy and to novel anticancer agent having a mechanism of action which is quite specific. It also relates to novel chemical compounds as well as their therapeutic application in humans.

  本发明涉及癌症治疗和具有相当特定作用机制的新型抗癌剂。它还涉及新的化学化合物以及它们在人类治疗中的治疗应用。
• REVERSIBLE PEGYLATED DRUGS
  申请人：Yeda Research and Development Co., Ltd.

  公开号：US20150057219A1

  公开（公告）日：2015-02-26

  Reversible pegylated drugs are provided by derivatization of free functional groups of the drug selected from amino, hydroxyl, mercapto, phosphate and/or carboxyl with groups sensitive to mild basic conditions such as 9-fluorenylmethoxycarbonyl (Fmoc) or 2-sulfo-9-fluorenylmethoxycarbonyl (FMS), to which group a PEG moiety is attached. In these pegylated drugs, the PEG moiety and the drug residue are not linked directly to each other, but rather both residues are linked to different positions of the scaffold Fmoc or FMS structure that is highly sensitive to bases and is removable under physiological conditions. The drugs are preferably drugs containing an amino group, most preferably peptides and proteins of low or medium molecular weight. Similar molecules are provided wherein a protein carrier or another polymer carrier replaces the PEG moiety.

  可逆的聚乙二醇化药物是通过对所选药物的游离功能基团（包括氨基，羟基，巯基，磷酸酯和/或羧基）进行衍生化，使用对轻微碱性条件敏感的基团（如9-芴甲氧羰基（Fmoc）或2-磺酸基-9-芴甲氧羰基（FMS）），然后将PEG基团附着在该基团上。在这些聚乙二醇化药物中，PEG基团和药物残基不直接链接在一起，而是两个残基链接到高度敏感于碱性且可在生理条件下去除的Fmoc或FMS结构的不同位置。这些药物最好是含有氨基基团的药物，特别是低分子量或中分子量的肽和蛋白质。类似的分子也可用蛋白质载体或其他聚合物载体代替PEG基团。
• SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME
  申请人：Battelle Memorial Institute

  公开号：US20160257785A1

  公开（公告）日：2016-09-08

  Disclosed herein are monomer embodiments that can be used to make polymers, such as homopolymers, heteropolymers, and that can be used in particular embodiments to make sequence-defined polymers. Also disclosed herein are methods of making polymers using such monomer embodiments. Methods of using the polymers disclosed herein also are described.

  本文揭示了可用于制造聚合物的单体实施例，例如同聚物、异聚物，并且可以用于特定实施例中制造序列定义的聚合物。本文还揭示了使用此类单体实施例制造聚合物的方法。还描述了使用本文所揭示的聚合物的方法。