4-溴-3,6-哒嗪二酮 | 15456-86-7

• 物质功能分类: 医药中间体 - 杂环化合物 - 哒嗪类化合物
• 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: 4-溴-3,6-哒嗪二酮
• 中文别名: 4-溴-3-羟基-6-吡嗪酮；4-溴-3-羟基-6-哒嗪酮
• 英文名称: 4-bromo-1,2-dihydropyridazine-3,6-dione
• 英文别名: 4-bromo-3,6-dioxo-1,2,3,6-tetrahydropyridazine
• CAS: 15456-86-7
• 化学式: C₄H₃BrN₂O₂
• mdl: MFCD01077935
• 分子量: 190.984
• InChiKey: BMASTHFFAMGJKZ-UHFFFAOYSA-N

物化性质

• 密度：
  1.965±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-1,2-dihydropyridazine-3,6-dione
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 4-Bromo-1,2-dihydropyridazine-3,6-dione
CAS number: 15456-86-7

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C4H3BrN2O2
Molecular weight: 191.0

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

应用

4-溴-3,6-哒嗪二酮是一种酮类有机物，可用作有机试剂。

反应信息

• 作为反应物：
  描述：

  4-溴-3,6-哒嗪二酮 在 三氯氧磷 作用下， 以82%的产率得到3,4,6-三氯哒嗪
  参考文献：
  名称：

  溴结构域的化学蛋白质组学分析使活细胞中溴结构域抑制剂的广谱评估成为可能

  摘要：

  Bromodomain 是赖氨酸乙酰化标记的表观遗传“阅读器”，存在于不同的核蛋白中，在染色质生物学中具有多种生物学功能。溴结构域的功能障碍与人类疾病（如癌症）的发病机制有关。因此，溴结构域已成为药物发现的治疗靶点。鉴于溴结构域的高度结构相似性，开发溴结构域抑制剂的关键步骤是评估其选择性以避免脱靶效应。虽然已经鉴定了许多溴结构域抑制剂，但仍然需要评估抑制剂对活细胞中内源性溴结构域的选择性的新方法。在这里，我们报告了一种光亲和探针 photo-BS 的开发，它能够对活细胞中的溴结构域抑制剂进行广谱分析。Photo-BS 允许在体外和活细胞中重组溴结构域和内源性含溴结构域蛋白 (BCP) 的光诱导交联。溴结构域的光 BS 诱导标记被相应的溴结构域抑制剂选择性竞争。蛋白质组学分析表明，photo-BS 从活细胞中捕获了 42 个已知 BCP 中的 28 个。对两种溴结构域抑制剂溴代孢菌素和 GSK6853

  DOI：

  10.1021/jacs.9b02738
• 作为产物：
  描述：

  溴代马来酸酐 在 硫酸肼 作用下， 以 水 为溶剂， 反应 4.0h， 以83%的产率得到4-溴-3,6-哒嗪二酮
  参考文献：
  名称：

  访问5,6-二氢吲哚-萘啶环系统的一般方法

  摘要：

  我们报告了通过吲哚NH到烯烃部分的分子内环化作为关键步骤合成5,6-二氢吲哚-萘啶环系统的一般方法。

  DOI：

  10.1016/j.tetlet.2017.02.030
• 作为试剂：
  描述：

  溴代马来酸酐 、 硫酸肼 在 丙酮 、 4-溴-3,6-哒嗪二酮 作用下， 以 水 为溶剂， 反应 19.0h， 以to give the desired product 4-bromo-1,2-dihydropyridazine-3,6-dione (2.85 g) as a white powder in 87% yield (gravimetric) with a melting point of 262° C.的产率得到4-溴-3,6-哒嗪二酮
  参考文献：
  名称：

  MAP KINASE MODULATORS AND USES THEREOF

  摘要：

  本发明提供了新型的MAP激酶抑制剂和包含它们的组合物。在某些实施例中，MAP激酶抑制剂是p38α MAP激酶抑制剂。该发明还提供了治疗疾病的方法，包括给予MAP激酶抑制剂或包含MAP激酶抑制剂的组合物。在某些实施例中，该疾病是阿尔茨海默病，肌萎缩性侧索硬化症，亨廷顿病或帕金森病。

  公开号：

  US20160130253A1

文献信息

• [EN] TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES TÉTRACYCLIQUES ET LEURS PROCÉDÉS D'UTILISATION POUR LE TRAITEMENT DE L'HÉPATITE C
  申请人：MERCK SHARP & DOHME

  公开号：WO2014121416A1

  公开（公告）日：2014-08-14

  The present invention relates to compounds of formula (I) that are useful as hepatitis C virus (HCV) NS5B polymerase inhibitors, the synthesis of such compounds, and the use of such compounds for inhibiting HCV NS5B polymerase activity, for treating or preventing HCV infections and for inhibiting HCV viral replication and/or viral production in a cell-based system.

  本发明涉及式(I)化合物，该化合物可用作丙型肝炎病毒（HCV）NS5B聚合酶抑制剂，此类化合物的合成，以及使用此类化合物来抑制HCV NS5B聚合酶活性，治疗或预防HCV感染，以及在细胞系统中抑制HCV病毒复制和/或病毒产生。
• Substituted triazolo-pyridazine derivatives as ligands for GABA receptors
  申请人：Merck Sharp & Dohme Limited

  公开号：US06255305B1

  公开（公告）日：2001-07-03

  Substituted triazolo-pyridazine derivative compounds represented by wherein the variables are disclosed herein are selective ligands for GABA-A receptors, particularly for the &agr;2 and/or &agr;3 subunits.

  这些变量如上所披露的取代三唑吡啶衍生物化合物是GABA-A受体的选择性配体，特别是对于α2和/或α3亚基。
• Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones
  申请人：GlaxoSmithKline Intellectual Property Development Limited

  公开号：US10702521B2

  公开（公告）日：2020-07-07

  The present invention relates to methods for treating Neisseria Gonorrhoeae infection which comprises administering to a subject in need thereof novel 1,2-dihydro-2a,5,8a-triazaacenaphthylene-3,8-dione compounds: or pharmaceutically acceptable salts thereof and/or corresponding pharmaceutical compositions.

  本发明涉及治疗淋病双球菌感染的方法，包括向需要的受试者施用新型1,2-二氢-2a,5,8a-三氮杂蒽-3,8-二酮化合物：或其药学上可接受的盐和/或相应的药物组合物。
• Compounds
  申请人：Cailleau Nathalie

  公开号：US20080221110A1

  公开（公告）日：2008-09-11

  Tricyclic nitrogen containing compounds and their use as antibacterials

  三环氮含化合物及其作为抗菌剂的用途
• Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis
  申请人：GLAXO GROUP LIMITED

  公开号：EP1980251A1

  公开（公告）日：2008-10-15

  Tricyclic nitrogen-containing compounds of Formula (I) and pharmaceutically acceptable derivatives thereof: compositions containing them, their use in the treatment of tuberculosis, and methods for the preparation of such compounds.

  公式（I）中的三环含氮化合物及其药用可接受衍生物： 包含它们的组合物，它们在结核病治疗中的用途，以及制备这类化合物的方法。