(3,4-difluorophenyl)(2-methylsulfanylphenyl)methanone | 951888-21-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3,4-difluorophenyl)(2-methylsulfanylphenyl)methanone
• 英文别名: 3,4-Difluoro-2'-(thiomethyl)benzophenone；(3,4-difluorophenyl)-(2-methylsulfanylphenyl)methanone
• CAS: 951888-21-4
• 化学式: C₁₄H₁₀F₂OS
• mdl: MFCD09801701
• 分子量: 264.296
• InChiKey: GNFUAPRPKBHEDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3,4-difluorophenyl)(2-methylsulfanylphenyl)methanone 在 甲醇 、 sodium tetrahydroborate 、 甲烷磺酸 作用下， 以 乙酸乙酯 为溶剂， 反应 6.0h， 生成 (3R)-2-[(3,4-difluorophenyl)-(2-methylsulfanylphenyl)methyl]-11-phenylmethoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
  参考文献：
  名称：

  EP3763718

  摘要：

  公开号：
• 作为产物：
  描述：

  3,4-二氟苯甲酸 在 magnesium 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 36.75h， 生成 (3,4-difluorophenyl)(2-methylsulfanylphenyl)methanone
  参考文献：
  名称：

  EP3763718

  摘要：

  公开号：

文献信息

• SUBSTITUTED 3,4,12,12A-TETRAHYDRO-1H-[1,4]OXAZINO[3,4-C]PYRIDO[2,1-F][1,2,4]TRIAZINE-6,8-DIONE, PHARMACEUTICAL COMPOSITION, AND METHODS FOR PREPARING AND USING SAME
  申请人：Ivachtchenko, Alexandre Vasilievich

  公开号：EP3763718A1

  公开（公告）日：2021-01-13

  Influenza is an acute infectious respiratory disease caused by the influenza virus. It is part of the group of Acute Respiratory Viral Infections (ARVI). It occasionally spreads in the form of epidemics and pandemics. Currently, more than 2000 variants of the influenza virus differing in the antigen spectrum have been identified. Given that influenza is a serious threat to public health (worldwide, these annual epidemics lead to 3-5 million cases of severe illness, millions of hospitalizations, and up to 650,000 deaths), it seems appropriate to search for new anti-influenza drugs with improved characteristics. The inventors surprisingly found out that the previously unknown substituted 3,4,12,12a-tetrahydro-1 H-[1,4] oxazino[3,4-c]pyrido[2,1-f] [1,2,4]triazine-6,8-dione of general formula 1, its stereoisomer, their prodrug, pharmaceutically acceptable salt, solvate, hydrate, and a crystalline or polycrystalline form thereof are effective agents for prophylaxis and treatment of viral diseases, including influenza where R1 is (6,7-difluoro-5,10-dihydrothieno[3,2-c][2]benzothiepin-10-yl, (7,8-difluoro-4,9-dihydrothieno[2,23-c][2]benzothiepin-4-yl, (3,4-difluorophenyl)(phenyl)methyl, (3,4-difluorophenyl)(2-methylsulfanylphenyl)methyl, diphenylmethyl, bis(4-fluorophenyl)-methyl; R2 is hydrogen or a protective group selected from a series comprising (C1-C3 alkyl) oxycarbonyloxy, [(C1-C3 alkyl)oxycarbonyl]-oxy}methoxy, [2-(C1-C3 alkyl) oxyethoxy]carbonyl}oxy, ([(1R)-2-[(C1-C3alkyl)oxy]-1-methylethoxy}carbonyl)oxy, [(3S)-ethoxyfuran-3-yloxy]-carbonyl}oxy, [(ethoxy-2H-pyran-4-yloxy)carbonyl]oxy,[(1-acetylazetidine)-3-yloxy]carbonyl}oxy, [(C1-C3alkyl) oxycarbonyl] -oxy}methoxy, ([2-(C1-C3 alkyl)oxyethoxy]carbonyl}oxy) methoxy.

  流感是由流感病毒引起的急性呼吸道传染病。它属于急性呼吸道病毒感染（ARVI）。它偶尔会以流行病和大流行的形式传播。目前，已发现 2000 多种抗原谱不同的流感病毒变种。鉴于流感对公众健康的严重威胁（在全球范围内，这些流行病每年导致 300-500 万例重症病例，数百万人住院治疗，多达 65 万人死亡），似乎应该寻找具有更好特性的新型抗流感药物。 发明者们惊奇地发现，通式 1 的以前未知的取代 3,4,12,12a-四氢-1 H-[1,4]恶嗪并[3,4-c]吡啶并[2,1-f][1,2,4]三嗪-6,8-二酮、其立体异构体、其原药、药学上可接受的盐、溶液、水合物及其结晶或多晶形式是预防和治疗包括流感在内的病毒性疾病的有效药物。 其中 R1 is (6,7-difluoro-5,10-dihydrothieno[3,2-c][2]benzothiepin-10-yl, (7,8-difluoro-4,9-dihydrothieno[2,23-c][2]benzothiepin-4-yl,(3,4-二氟苯基)(苯基)甲基、(3,4-二氟苯基)(2-甲硫基苯基)甲基、二苯基甲基、双(4-氟苯基)甲基；R2 是氢或选自以下系列的保护基团：(C1-C3 烷基)氧羰氧基、[(C1-C3 烷基)氧羰基]-氧基}甲氧基、[2-(C1-C3 烷基)氧乙氧基]羰基}氧基、([(1R)-2-[(C1-C3 烷基)氧基]-1-甲基乙氧基}羰基)氧基、[(3S)-乙氧基呋喃-3-氧基]-羰基}氧基，[(乙氧基-2H-吡喃-4-氧基)羰基]氧基，[(1-乙酰氮杂环丁烷)-3-氧基]羰基}氧基，[(C1-C3 烷基)氧羰基]-氧基}甲氧基，([2-(C1-C3 烷基)氧乙氧基]羰基}氧基)甲氧基。
• Substituted 3,4,12,12a-Tetrahydro-1H-[1,4]Oxazino[3,4-c]Pyrido[2,1-f][1,2,4]Triazine-6,8-dione, Pharmaceutical Composition, Method for the Production and Use Thereof
  申请人：Ivachtchenko Alena Alexandrovna

  公开号：US20220048925A1

  公开（公告）日：2022-02-17

  Influenza is an acute infectious respiratory disease caused by the influenza virus. It is part of the group of Acute Respiratory Viral Infections (ARVI). It occasionally spreads in the form of epidemics and pandemics. Currently, more than 2000 variants of the influenza virus differing in the antigen spectrum have been identified. Given that influenza is a serious threat to public health (worldwide, these annual epidemics lead to 3-5 million cases of severe illness, millions of hospitalizations, and up to 650,000 deaths), it seems appropriate to search for new anti-influenza drugs with improved characteristics. The inventors surprisingly found out that the previously unknown substituted 3,4,12,12a-tetrahydro-1H-[1,4] oxazino[3,4-c]pyrido[2,1-f] [1,2,4]triazine-6,8-dione of general formula 1, its stereoisomer, their prodrug, pharmaceutically acceptable salt, solvate, hydrate, and a crystalline or polycrystalline form thereof are effective agents for prophylaxis and treatment of viral diseases, including influenza where R 1 is (6,7-difluoro-5,10-dihydrothieno[3,2-c][2]benzothiepin-10-yl, (7,8-difluoro-4,9-dihydrothieno[2,23-c][2]benzothiepin-4-yl, (3,4-difluorophenyl)(phenyl)methyl, (3,4-difluorophenyl)(2-methylsulfanylphenyl)methyl, diphenylmethyl, bis(4-fluorophenyl)-methyl; R 2 is hydrogen or a protective group selected from a series comprising (C1-C3 alkyl) oxycarbonyloxy, [(C1-C3 alkyl)oxycarbonyl]-oxy}methoxy, [2-(C1-C3 alkyl) oxyethoxy]carbonyl}oxy, ([(1R)-2-[(C1-C3alkyl)oxy]-1-methylethoxy} carbonyl)oxy, [(3S)-ethoxyfuran-3-yloxy]-carbonyl}oxy, [(ethoxy-2H-pyran-4-yloxy) carbonyl]oxy,[(1-acetylazetidine)-3-yloxy]carbonyl}oxy, [(C1-C3alkyl) oxycarbonyl]-oxy}methoxy, ([2-(C1-C3 alkyl)oxyethoxy]carbonyl}oxy) methoxy.
• [EN] SUBSTITUTED 3,4,12,12A-TETRAHYDRO-1H-[1,4]OXAZINO[3,4-C]PYRIDO[2,1-F][1,2,4]TRIAZINE-6,8-DIONE, PHARMACEUTICAL COMPOSITION, AND METHODS FOR PREPARING AND USING SAME<br/>[FR] 3,4,12,12А-TÉTRAHYDRO-1Н-[1,4]OXAZINO[3,4-С]PYRIDO[2,1-F] [1,2,4]TRIAZINE- 6,8-DIONE SUBSTITUÉ, COMPOSITION PHARMACEUTIQUE ET PROCÉDÉS DE PRODUCTION ET D'UTILISATION<br/>[RU] ЗАМЕЩЕННЫЙ 3,4,12,12А-ТЕТРАГИДРО-1Н-[1,4]ОКСАЗИНО[3,4-С]ПИРИДО[2,1-f] [1,2,4]ТРИАЗИН- 6,8-ДИОН, ФАРМАЦЕВТИЧЕСКАЯ КОМПОЗИЦИЯ, СПОСОБЫ ИХ ПОЛУЧЕНИЯ И ПРИМЕНЕНИЯ
  申请人：IVACHTCHENKO ALEXANDRE VASILIEVICH

  公开号：WO2020226532A1

  公开（公告）日：2020-11-12

  Грипп - острое инфекционное заболевание дыхательных путей, вызываемое вирусом гриппа. Учитывая, что грипп является серьезной угрозой для общественного здравоохранения представляется целесообразным поиск новых противогриппозных препаратов, обладающих улучшенными характеристиками. Авторы обнаружили, что неизвестное ранее соединение общей формулы 1, его стереоизомер, их пролекарство, фармацевтически приемлемая соль, сольват гидрат, и их кристаллическая или поликристаллическая форма являются эффективным средством для профилактики и лечения вирусных заболеваний, в том числе гриппа. Соединение представлено формулой 1: (I) где R1 (6,7-дифтор-5,10-дигидротиено[3,2-с][2]бензотиепин-10-ил, (7,8-дифтор-4,9- дигидротиено[2,23-с][2]бензотиепин-4-ил, (3,4-дифторфенил)(фенил)метил, (3,4-дифторфенил)(2- метилсульфанилфенил)метил, дифенилметил, бис(4-фторфенил)-метил; R2 водородилизагцитнаягруппа, выбраннаяизряда, ключаюгцего (С1-СЗ алкил) оксикарбонилокси, [(С1-СЗ алкил)оксикарбонил]-окси}метокси, [2-(С1-СЗ алкил) оксиэтокси] карбонил } окси, ( [( lR)-2- [(С 1 -СЗалкил)окси] - -метилэтокси } карбонил )окси, [(38)-тетрагидрофуран-3-илокси]-карбонил}окси, [(тетрагидро-2Н-пиран-4-илокси)карбонил]окси, [(1-ацетилазетидин)-3- илокси]карбонил } окси, [(С1-СЗалкил)оксикарбонил]-окси }метокси, ( [2-(С1-СЗ алкил )оксиэтокси] карбонил } окси) метокси.
• EP3763718
  申请人：——

  公开号：——

  公开（公告）日：——