3-(甲基硫代)-1,2,4-噻嗪-5(2H)-酮 | 18060-72-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 3-(甲基硫代)-1,2,4-噻嗪-5(2H)-酮
• 英文名称: 3-methylthio-1,2,4-triazin-5(2H)-one
• 英文别名: 3-(methylthio)-1,2,4-triazin-5(4H)-one；3-methylsulfanyl-4H-1,2,4-triazin-5-one
• CAS: 18060-72-5
• 化学式: C₄H₅N₃OS
• mdl: MFCD00128530
• 分子量: 143.169
• InChiKey: ZJFYWFHUHCUNTH-UHFFFAOYSA-N

物化性质

• 熔点：
  222-224 °C
• 沸点：
  233.4±23.0 °C(Predicted)
• 密度：
  1.53±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  9
• 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：
  79.1
• 氢给体数：
  1
• 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：

  3-(甲基硫代)-1,2,4-噻嗪-5(2H)-酮 在 正丁基锂 、 2,4-二硝基苯基羟胺 作用下， 生成 2-amino-3-methylthio-1,2,4-triazin-5(2H)-one
  参考文献：
  名称：

  Sanemitsu, Yuzuru; Nakayama, Yoshinori; Shiroshita, Masao, Journal of Heterocyclic Chemistry, 1983, vol. 20, p. 1671 - 1675

  摘要：

  DOI：
• 作为产物：
  描述：

  5-Methoxy-3-methylsulfanyl-1,2,4-triazine 以29%的产率得到
  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

• 3,5-dioxo-(2H,4H)-1,2,4-triazine derivatives
  申请人：Pierre Fabre Medicament

  公开号：US05977106A1

  公开（公告）日：1999-11-02

  Novel 3,5-dioxo-(2H,4H-triazine derivatives of general formula (I): wherein R.sub.1 is hydrogen, a C.sub.1 -C.sub.4 alkyl radical, phenyl C.sub.1 -C.sub.4 alkyl or phenyl, the phenyl ring being optionally substituted by one or more groupings such as (C.sub.1 -C.sub.3) alkyl, hydroxyl, trifluoromethyl or halogen: R.sub.2 is hydrogen or a (C.sub.1 -C.sub.4) alkyl radical, n can be an integer from 2 to 6; A is a grouping of the aryl piperazino or benzodioxanyl-methylamino or pyridodioxanyl-methylamino type. The invention also concerns a method of preparing said derivatives and pharmaceutical compositions comprising at least one of the compounds of general formula (I) as the active ingredient: ##STR1##

  新颖的3,5-二氧代-(2H,4H-三嗪衍生物的一般式(I)：其中R.sub.1是氢、C.sub.1 -C.sub.4烷基基团、苯基C.sub.1 -C.sub.4烷基或苯基，苯环可选地被一个或多个基团取代，如(C.sub.1 -C.sub.3)烷基、羟基、三氟甲基或卤素；R.sub.2是氢或(C.sub.1 -C.sub.4)烷基基团，n可以是2到6之间的整数；A是芳基哌唑基或苯二氧杂环丙基氨基或吡啶二氧杂环丙基氨基类型的基团。该发明还涉及制备所述衍生物的方法和包含至少一种一般式(I)化合物作为活性成分的药物组合物。
• [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。
• 3,5-dioxo-(2H,4H)-1,2,4-triazine derivatives as 5HT.sub.1A ligands
  申请人：Pierre Fabre Medicament

  公开号：US05591743A1

  公开（公告）日：1997-01-07

  A 3,5-dioxo-(2H,4H)-1,2,4-triazine compounds of formula I ##STR1## in which: R.sub.1 and R.sub.2, which are identical or different, represent hydrogen or C.sub.1 -C.sub.6 alkyl, n is 2 to 6, inclusive, A represents aryl piperazino II ##STR2## the Ar grouping representing phenyl, naphthyl, pyrimidyl, or pyridyl, unsubstituted or substituted by C.sub.1 -C.sub.3 alkyl, C.sub.1 -C.sub.3 alkoxy, hydroxy, trifluoromethyl, or halogen, or III benzodioxanyl-methyl-amino or pyridodioxanyl-methyl-amino ##STR3## in which R represents hydrogen or C.sub.1 -C.sub.3 alkyl and X represents a nitrogen or carbon atom, therapeutically-acceptable salts and enantiomers thereof, pharmaceutical compositions thereof, and method for treatment of diseases requiring a 5HT.sub.1A receptor agonist therewith.

  化学式为I的3,5-二氧代-(2H,4H)-1,2,4-三嗪类化合物：##STR1## 其中：R.sub.1和R.sub.2，相同或不同，表示氢或C.sub.1-C.sub.6烷基，n为2至6，包括在内，A表示芳基哌嗪II：##STR2## 其中，Ar基团表示苯基、萘基、嘧啶基或吡啶基，未取代或取代为C.sub.1-C.sub.3烷基、C.sub.1-C.sub.3烷氧基、羟基、三氟甲基或卤素，或III苯并二氧杂环基甲基氨基或吡啶二氧杂环基甲基氨基：##STR3## 其中，R表示氢或C.sub.1-C.sub.3烷基，X表示氮或碳原子，其治疗上可接受的盐和对映异构体，其制药组合物，以及使用其作为5HT.sub.1A受体激动剂治疗需要该类药物治疗的疾病的方法。
• Chichibabin-Type Condensation of Cyclic Ketones with 3-R-1,2,4-triazin-5(4<i>H</i>)-ones
  作者：Ilya N. Egorov、Tatyana A. Tseitler、Igor S. Kovalev、Pavel A. Slepukhin、Vladimir L. Rusinov、Oleg N. Chupakhin

  DOI：10.1021/jo300697v

  日期：2012.7.20

  Reactions between substituted 1,2,4-triazines and ketones were investigated. General procedures for one-pot synthesis of hydrogenated derivatives of such polycyclic systems as benzo[c][1,2,4]triazino[1,6-a][2]azecine, [1,2,4]triazino[1,6-f]phenantridine, and dicyclopenta[b,d]pyrido[1,2-f][1,2,4]triazine are described.

  研究了取代的1,2,4-三嗪与酮之间的反应。一锅合成这类多环系统如苯并[ c ] [1,2,4]三嗪[ 1,6- a ] [2] a嗪，[1,2,4]三嗪[1，描述了6- f ]菲啶和二环戊基[ b，d ]吡啶基[1,2- f ] [1,2,4]三嗪。
• Insecticidal and acaricidal 3,5-dioxo-2,3,4,5-triazine compounds
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04327094A1

  公开（公告）日：1982-04-27

  A carboxylate of the formula, ##STR1## wherein R.sub.1 is an allyl or propargyl group, R.sub.2 is a group of ##STR2## in which R.sub.3 is a hydrogen atom or a methyl group, and when R.sub.3 is a hydrogen atom, R.sub.4 is a group of ##STR3## (in which R.sub.7 is a chlorine, bromine or fluorine atom, or a methyl, vinyl, methoxycarbonyl or methoxymethyl group, R.sub.8 is a hydrogen, chlorine, bromine or fluorine atom or a methyl group), and when R.sub.3 is a methyl group, R.sub.4 is a methyl group, R.sub.5 is an isopropyl or cyclopropyl group, R.sub.6 is an alkyl group having 1 to 3 carbon atoms or alkoxy group having 1 to 3 carbon atoms, or a chlorine, bromine or fluorine atom, n is 1 or 2, and --(R.sub.6).sub.n may include a 3,4-methylenedioxy group, and its use as an insecticide and/or acaricide.

  一种化学式为##STR1##的羧酸盐，其中R.sub.1为烯丙基或丙炔基，R.sub.2为##STR2##的一种基团，其中R.sub.3为氢原子或甲基基团，当R.sub.3为氢原子时，R.sub.4为##STR3##的一种基团，其中R.sub.7为氯、溴或氟原子，或者是甲基、乙烯基、甲氧羰基或甲氧甲基基团，R.sub.8为氢、氯、溴或氟原子或甲基基团，当R.sub.3为甲基基团时，R.sub.4为甲基基团，R.sub.5为异丙基或环丙基，R.sub.6为具有1到3个碳原子的烷基或具有1到3个碳原子的烷氧基团，或者是氯、溴或氟原子，n为1或2，--(R.sub.6).sub.n可以包括3,4-亚甲二氧基基团，并且其用作杀虫剂和/或杀螨剂。