2,6-二氯-n-甲基-4-嘧啶胺 | 32998-03-1

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2,6-二氯-n-甲基-4-嘧啶胺
• 中文别名: 2,6-二氯-N-甲基嘧啶-4-胺
• 英文名称: 2,4-Dichloro-6-methylaminopyrimidin
• 英文别名: (2,6-dichloro-pyrimidin-4-yl)-methyl-amine；(2,6-Dichlor-pyrimidin-4-yl)-methyl-amin；2,6 Dichloro-4-methylaminopyrimidine；2,6-dichloro-N-methyl-4-pyrimidinamine；2,6-dichloro-N-methylpyrimidin-4-amine
• CAS: 32998-03-1
• 化学式: C₅H₅Cl₂N₃
• 分子量: 178.021
• InChiKey: QLVKPJDPGNLXSJ-UHFFFAOYSA-N

物化性质

• 熔点：
  186 °C
• 沸点：
  314.7±22.0 °C(Predicted)
• 密度：
  1.492±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2,6-二氯-n-甲基-4-嘧啶胺 在 sodium hydride 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 2,6-dibenzyloxy-4-pyrimidine
  参考文献：
  名称：

  Simplified Analogues of Acyclonucleosides. Synthesis of 6-[N-Alkyl-N-(4-hydroxybutyl)amino]pyrimidine Derivatives

  摘要：

  The synthesis of some 6-alkylaminopyrimidine derivatives bearing a 4-hydroxybutyl chain as sugar mimic is described. These new compounds can be regarded as simplified, ring-opened analogues of purine acyclonucleosides.

  DOI：

  10.1080/15257779408009479
• 作为产物：
  描述：

  2,4,6-三氯嘧啶 生成 2,6-二氯-n-甲基-4-嘧啶胺
  参考文献：
  名称：

  Pharmaceutically active bicyclic-heterocyclic amines

  摘要：

  具有药用活性的双环杂环胺类化合物（XXX）##STR1##其中W.sub.1为--N.dbd.或--CH.dbd.; W.sub.3为--N.dbd.或--CH.dbd.; W.sub.5为--N.dbd.或--CR.sub.5--，但W.sub.5为--CR.sub.5--当W.sub.1和W.sub.3均为--N.dbd.，这些化合物在治疗轻度和/或中度至重度头部损伤、蛛网膜下腔出血和随后的缺血性中风、哮喘以及减少肺部粘液形成/分泌和其他疾病和损伤中具有药用价值。

  公开号：

  US05502187A1

文献信息

• Substituted pyridine and pyrimidine derivatives and their use in treating viral infections
  申请人：Arasappan Ashok

  公开号：US09433621B2

  公开（公告）日：2016-09-06

  The present invention provides compounds of Formula (I): and tautomers, isomers, and esters of said compounds, and pharmaceutically acceptable salts, solvates, and prodrugs of said compounds, wherein each of R, R1, X, Y, Z, R2, R3, R4, R5, R6, R7, R8, R9, R18, R19 and n is selected independently and as defined herein. Compositions comprising such compounds are also provided. The compounds of the invention are effective as inhibitors of HCV, and are useful, alone and together with other therapeutic agents, in treating or preventing diseases or disorders such as viral infections and virus-related disorders.

  本发明提供了式(I)的化合物：以及所述化合物的互变异构体、异构体和酯，以及所述化合物的药学上可接受的盐、溶剂化合物和前药，其中R、R1、X、Y、Z、R2、R3、R4、R5、R6、R7、R8、R9、R18、R19和n中的每个都是独立选择并如本文所定义。还提供了包含这些化合物的组合物。本发明的化合物作为HCV的抑制剂是有效的，并且在治疗或预防病毒感染和与病毒相关的疾病或紊乱方面，单独或与其他治疗剂一起使用是有用的。
• [EN] SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS<br/>[FR] DÉRIVÉS DE PYRIDINE ET PYRIMIDINE SUBSTITUÉES ET LEUR UTILISATION DANS LE TRAITEMENT D'INFECTIONS VIRALES
  申请人：SCHERING CORP

  公开号：WO2010022121A1

  公开（公告）日：2010-02-25

  The present invention provides compounds of Formula (I): and tautomers, isomers, and esters of said compounds, and pharmaceutically acceptable salts, solvates, and prodrugs of said compounds, wherein wherein each of R, R1, X, Y, Z, R2, R3, R4, R5, R6, R7, R8, R9, R18, R19 and n is selected independently and as defined herein. Compositions comprising such compounds are also provided. The compounds of the invention are effective as inhibitors of HCV, and are useful, alone and together with other therapeutic agents, in treating or preventing diseases or disorders such as viral infections and virus-related disorders.

  本发明提供了式(I)的化合物：以及所述化合物的互变异构体、同分异构体和酯，以及所述化合物的药学上可接受的盐、溶剂化合物和前药，其中R、R1、X、Y、Z、R2、R3、R4、R5、R6、R7、R8、R9、R18、R19和n中的每个均独立选择并如本文所定义。还提供了包含这些化合物的组合物。本发明的化合物作为HCV的抑制剂是有效的，并且在治疗或预防病毒感染和与病毒相关的疾病或紊乱方面，单独或与其他治疗剂一起使用是有用的。
• Di-quaternary salts of pyrimidylaminoquinolines
  申请人：ICI LTD

  公开号：US02591545A1

  公开（公告）日：1952-04-01

  The invention comprises diquaternary salts of pyrimidylaminoquinolines of the general formula Pq-NH-Qq, wherein P represents a 2-, 4- (or 6-) amino- or 1-5C-alkylamino-substituted pyrimidine nucleus attached to the -NH- bridge at another of the 2,4- (or 6-) positions and substituted by halogen in the third, Q represents a quinoline nucleus attached to the -NH- bridge in the 6-position, substituted in the 4-position by an amino or 1-5C-alkylamino group, and optionally further substituted by one or more 1-5C-alkyl groups, and the symbols q indicate that the nuclei P and Q are in the form of quaternary salts, and the manufacture thereof by reacting one or more substances of the formula P-NH-Q or P-NH-Qq with a quaternary salt-forming agent, or, in the case of quaternary salts other than methyl p-toluenesulphonates, by treating the corresponding compounds in which at least one of the quaternary salt groups is in the form of a methyl p-toluenesulphonate, with a water-soluble salt (e.g. an inorganic halide). The products are useful as intermediates for the production of trypanocidal compounds, e.g. by replacing the halogen atom by hydrogen by a reduction process, or by an amino or alkylamino group by reaction with ammonia or an alkylamine. In examples: (1) and (2) 4-amino-6 - (61 - chloro - 21 - aminopyrimidyl - 41 - amino)-quinaldine or its 1-methochloride is reacted with methyl p-toluenesulphonate in nitrobenzene and the product is dissolved in aqueous alcohol and reacted with sodium iodide to give the 1 : 11-dimethiodide; (3) 4 - amino - 6 - (41 - chloro - 61 - methylaminopyrimidyl - 21 - amino) - quinaldine is quaternated as in (1), yielding the 1 : 31 - di - (metho - p - toluenesulphonate); (4) 4-amino-6-(61-chloro-21-aminopyrimidyl-41-amino) -quinoline is quaternated as in (1) and the product is dissolved in aqueous sodium bicarbonate solution and treated with sodium chloride to give the 1 : 11-dimethochloride; (5) 4-methylamino-6-(61-chloro-21-methylaminopyrimidyl - 41 - amino) - quinaldine 1 - methochloride is quaternated as in (1), giving the 1 : 11-bis-metho-p-toluenesulphonate. 4 - Amino - 6 - (61 - chloro - 21 - aminopyrimidyl - 41 - amino) - quinaldine and its 1-methochloride are obtainable by refluxing 4 : 6-diaminoquinaldine with 4 : 6-dichloro-2-aminopyridine in dilute hydrochloric acid or with its methochloride hydrochloride in water. 4 - Amino - 6 - (41 - chloro - 61 - methylaminopyrimidyl - 21 - amino) - quinaldine is obtainable similarly from 2 : 4-dichloro-6-methylaminopyrimidine. 4 - Amino - 6 - (61 - chloro - 21 - aminopyrimidyl - 41 - amino) - quinoline is obtainable by refluxing 4 : 6-diaminoquinoline with 2-amino-4 : 6-dichloropyrimidine in dilute hydrochloric acid. 4 - Methylamino - 6 - (61 - chloro - 21 - methylaminopyrimidyl - 41 - amino) - quinaldine 1-methochloride is obtainable by refluxing 6-amino-4-methylaminoquinaldine 1-methochloride dihydrate with 4 : 6-dichloro-2-methylaminopyrimidine in dilute hydrochloric acid.

  这个发明包括通式Pq-NH-Qq的嘧啶基氨基喹啉的二季铵盐，其中P代表连接到-NH-桥另一个2-，4-（或6-）位置并在第三位置被卤素取代的2-，4-（或6-）氨基或1-5C-烷基氨基取代的嘧啶核，Q代表连接到6-位置的喹啉核，在4-位置被氨基或1-5C-烷基氨基取代，并且可选择地进一步被一个或多个1-5C-烷基基团取代，符号q表示核P和Q以季铵盐的形式存在，并通过将通式P-NH-Q或P-NH-Qq的一个或多个物质与季铵盐形成剂反应来制备该二季铵盐，或者，对于除了甲基对甲苯磺酸盐以外的季铵盐，通过处理相应的化合物，其中至少一个季铵盐基团以甲基对甲苯磺酸盐的形式存在，与水溶性盐（例如无机卤化物）处理。这些产品可用作生产试虫药化合物的中间体，例如通过还原过程将卤素原子替换为氢，或通过与氨或烷基胺反应将氨基或烷基氨基团替换。在示例中：（1）和（2）4-氨基-6-（61-氯-21-氨基嘧啶基-41-氨基）-喹啉或其1-甲氯化物在硝基苯中与甲基对甲苯磺酸盐反应，产物溶解在水醇中，并与碘化钠反应得到1:11-二甲碘化物；（3）4-氨基-6-（41-氯-61-甲基氨基嘧啶基-21-氨基）-喹啉如同（1）进行季铵化，产生1:31-二（甲氧-对甲苯磺酸盐）；（4）4-氨基-6-（61-氯-21-氨基嘧啶基-41-氨基）-喹啉如同（1）进行季铵化，产物溶解在水碳酸氢钠溶液中，并与氯化钠处理得到1:11-二甲氯化物；（5）4-甲基氨基-6-（61-氯-21-甲基氨基嘧啶基-41-氨基）-喹啉1-甲氯化物如同（1）进行季铵化，得到1:11-双甲氧-对甲苯磺酸盐。4-氨基-6-（61-氯-21-氨基嘧啶基-41-氨基）-喹啉及其1-甲氯化物可通过在稀盐酸中回流4:6-二氨基喹啉与4:6-二氯-2-氨基吡啶或其甲氯化物盐酸盐反应或与水中的甲氯化物盐酸盐反应得到。类似地，4-氨基-6-（41-氯-61-甲基氨基嘧啶基-21-氨基）-喹啉可从2:4-二氯-6-甲基氨基嘧啶中获得。4-氨基-6-（61-氯-21-氨基嘧啶基-41-氨基）-喹啉可通过在稀盐酸中回流4:6-二氨基喹啉与2-氨基-4:6-二氯嘧啶反应获得。4-甲基氨基-6-（61-氯-21-甲基氨基嘧啶基-41-氨基）-喹啉1-甲氯化物可通过在稀盐酸中回流6-氨基-4-甲基氨基喹啉1-甲氯化物二水合物与4:6-二氯-2-甲基氨基嘧啶反应获得。
• Novel sEH Inhibitors and Their Use
  申请人：Ding Yun

  公开号：US20100069391A1

  公开（公告）日：2010-03-18

  The invention is directed to novel sEH inhibitors and their use in the treatment of diseases mediated by the sEH enzyme.

  本发明涉及新型sEH抑制剂及其在治疗由sEH酶介导的疾病中的应用。
• sEH inhibitors and their use
  申请人：GlaxoSmithKline, LLC

  公开号：US07994317B2

  公开（公告）日：2011-08-09

  The invention is directed to novel sEH inhibitors and their use in the treatment of diseases mediated by the sEH enzyme.

  这项发明涉及新型sEH抑制剂及其在治疗由sEH酶介导的疾病中的应用。