6-甲基-3-(甲基硫代)-1,2,4-噻嗪-5(2H)-酮 | 1566-32-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 6-甲基-3-(甲基硫代)-1,2,4-噻嗪-5(2H)-酮
• 英文名称: 3-Methylthio-5-oxo-dihydro-6-methyl-1,2,4-triazin
• 英文别名: 6-methyl-3-(methylthio)-1,2,4-triazin-5(4H)-one；2-S-Methyl-5-methyl-2-thio-6-aza-uracil; 5-Oxo-3-methylmercapto-6-methyl-2,5-dihydro-1,2,4-triazin；5-Hydroxy-3-methylmercapto-6-methyl-1,2,4-triazin；6-Methyl-5-oxo-3-methylmercapto-1,2,4-triazin；6-methyl-3-methylsulfanyl-4H-[1,2,4]triazin-5-one；6-Methyl-3-methylmercapto-4H-[1,2,4]triazin-5-on；6-Methyl-3-methylsulfanyl-4H-[1,2,4]triazin-5-one；6-methyl-3-methylsulfanyl-4H-1,2,4-triazin-5-one
• CAS: 1566-32-1
• 化学式: C₅H₇N₃OS
• mdl: MFCD00711682
• 分子量: 157.196
• InChiKey: RJIJIPUHQPCXHM-UHFFFAOYSA-N

物化性质

• 熔点：
  222-223 °C
• 沸点：
  239.8±23.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  79.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P264,P280,P302+P352,P305+P351+P338,P332+P313,P337+P313,P362
• 危险性描述：
  H315,H319
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  6-甲基-3-(甲基硫代)-1,2,4-噻嗪-5(2H)-酮 在 sodium hydride 、 三氯氧磷 作用下， 反应 8.0h， 生成 5-(3-butynyloxy)-6-methyl-3-(methylthio)-1,2,4-triazine
  参考文献：
  名称：

  Intramolecular Diels-Alder reactions of 1,2,4-triazines. Synthesis of condensed pyrimidines

  摘要：

  DOI：

  10.1021/jo00228a024
• 作为产物：
  描述：

  5-甲氧基-6-甲基-3-甲硫基-1,2,4-三嗪 生成 6-甲基-3-(甲基硫代)-1,2,4-噻嗪-5(2H)-酮
  参考文献：
  名称：

  PISKALA A., COLLECT. CZECH. CHEM. COMMUNS , 1975, 40, NO 8, 2364-2377

  摘要：

  DOI：

文献信息

• CERTAIN DIPEPTIDYL PEPTIDASE INHIBITORS
  申请人：Wang Weibo

  公开号：US20110160212A1

  公开（公告）日：2011-06-30

  Provided are certain dipeptidyl peptidase inhibitors, pharmaceutical compositions thereof, and methods of use therefor.

  提供了某些二肽基肽酶抑制剂，其药物组成物以及使用方法。
• [EN] CERTAIN PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS PARTICULIERS DE PROTÉINES KINASES
  申请人：SHANGHAI FOCHON PHARMACEUTICAL CO LTD

  公开号：WO2015180642A1

  公开（公告）日：2015-12-03

  Provided are compound of formula (I) as certain CDK4/6 inhibitors, pharmaceutical compositions thereof, and methods of use thereof.

  提供了化合物的公式(I)作为特定的CDK4/6抑制剂，其药物组合物以及使用方法。
• [EN] 2-HYDROXYIMINOPYRIMIDINE NUCLEOSIDES AND DERIVITIVES AND ANTIVIRAL USES THERETO<br/>[FR] NUCLÉOSIDES ET DÉRIVÉS DE 2-HYDROXYIMINOPYRIMIDINE ET UTILISATIONS ANTIVIRALES DE CEUX-CI
  申请人：SINCE & TECH DEVELOPMENT FUND AUTHORITY

  公开号：WO2022008025A1

  公开（公告）日：2022-01-13

  Disclosed herein are nucleosides and nucleotides analogs, methods for preparing the same, and methods for treating and/or ameliorating infection caused by a Coronaviridae virus, a Caliciviridae virus, an Orthomyxoviridae virus, a Herpesviridae virus, a Flaviviridae virus, a Filoviridae virus,and a Pneumoviridae virus with one or more nucleoside and nucleotide analogs of formula I. In certain embodiments, compounds and compositions of nucleoside or nucleotide derivatives are disclosed, which can be administered either alone or in combination with other anti-viral agents. In certain embodiments, the compounds are according to Formula (I): or a pharmaceutically acceptable salt, solvate, stereoisomeric form, a tautomeric form or polymorphic form thereof, wherein R1, R2, R3, R4, X, and sugar are as described herein.

  本文披露了核苷和核苷酸类似物，制备它们的方法，以及使用一种或多种公式I的核苷和核苷酸类似物治疗和/或改善由冠状病毒科病毒、钙病毒科病毒、流感病毒科病毒、疱疹病毒科病毒、黄病毒科病毒、丝状病毒科病毒和肺病毒科病毒引起的感染的方法。在某些实施例中，披露了核苷或核苷酸衍生物的化合物和组成物，可以单独或与其他抗病毒药物组合给予。在某些实施例中，化合物符合以下公式(I)：或其药用可接受的盐、溶剂化合物、立体异构体形式、互变异构体形式或多形形式，其中R1、R2、R3、R4、X和糖如本文所述。
• Certain dipeptidyl peptidase inhibitors
  申请人：Wang Weibo

  公开号：US08648073B2

  公开（公告）日：2014-02-11

  Provided are certain dipeptidyl peptidase inhibitors, pharmaceutical compositions thereof, and methods of use therefor.

  提供了某些二肽基肽酶抑制剂，其药物组成物以及使用方法。
• Design, synthesis and biological evaluation of 2-aminopyrimidinones and their 6-aza-analogs as a new class of CK2 inhibitors
  作者：Maksym O. Chekanov、Olga V. Ostrynska、Sergii S. Tarnavskyi、Anatoliy R. Synyugin、Nadiia V. Briukhovetska、Volodymyr G. Bdzhola、Alexander E. Pashenko、Andrey A. Fokin、Sergiy M. Yarmoluk

  DOI：10.3109/14756366.2013.837898

  日期：2014.10.1

  In order to find the new potent CK2 inhibitors the 60 derivatives of 2-aminopyrimidinone and their 6-aza-substituted analogs were synthesized and tested in vitro. Among them, the most efficient inhibitor 2-hydroxy-5-[4-(4-methoxyphehyl)-6-oxo-1,6-dihydropyrimidin-2-ylamino] benzoic acid was identified (IC50 = 1.1 mu M). The structure-activity relationship study of newly synthesized derivatives was carried out and their binding mode with adenosine triphosphate-acceptor site of CK2 was proposed.