2,6-二溴-4-甲基吡啶-3-胺 | 126354-83-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2,6-二溴-4-甲基吡啶-3-胺
• 中文别名: 3-氨基-2,6-二溴-4-甲基吡啶
• 英文名称: 3-amino-2,6-dibromo-4-methylpyridine
• 英文别名: 2,6-dibromo-4-methylpyridin-3-amine
• CAS: 126354-83-4
• 化学式: C₆H₆Br₂N₂
• 分子量: 265.935
• InChiKey: DZUAWLPRARGYAE-UHFFFAOYSA-N

物化性质

• 熔点：
  96-96.5 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 沸点：
  344.2±37.0 °C(Predicted)
• 密度：
  1.990±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Amino-2,6-dibromo-4-picoline
Synonyms: 2,6-Dibromo-4-methylpyridin-3-amine

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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: 3-Amino-2,6-dibromo-4-picoline
CAS number: 126354-83-4

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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: C6H6Br2N2
Molecular weight: 265.9

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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

反应信息

• 作为反应物：
  描述：

  2,6-二溴-4-甲基吡啶-3-胺 、 巯基乙酸甲酯 以25%的产率得到6-bromo-8-methyl-1H-pyrido<2,3-b><1,4>thiazin-2(3H)-one
  参考文献：
  名称：

  Dunn, A. D.; Norrie, R., Journal fur praktische Chemie (Leipzig 1954), 1990, vol. 332, # 4, p. 444 - 452

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氨基-4-甲基吡啶 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 2,6-二溴-4-甲基吡啶-3-胺
  参考文献：
  名称：

  EP3750885

  摘要：

  公开号：

文献信息

• COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR
  申请人：Shanghai Haihe Pharmaceutical Co., Ltd.

  公开号：EP3750885A1

  公开（公告）日：2020-12-16

  The invention relates to the field of pharmaceutical chemistry. Specifically, the present invention relates to a series of BET (bromodomain and extra-terminal domain) inhibitors having a novel structure, particularly inhibitors targeting BRD4 (Bromodomain-containing protein 4), and a preparation method and use therefor. The structure thereof is shown in the following general formula (I). Said compounds or a stereoisomer, racemate, geometric isomer, tautomer, prodrug, hydrate, solvate, or crystal form thereof, or a pharmaceutically acceptable salt thereof, and the pharmaceutical compsosition thereof can be used for the treatment and/or prevention of related diseases mediated by bromodomain proteins.

  本发明涉及药物化学领域。具体地说，本发明涉及一系列具有新型结构的 BET（溴基二甲基和端外域）抑制剂，特别是针对 BRD4（含溴基二甲基蛋白 4）的抑制剂，以及其制备方法和用途。其结构如下通式（I）所示。所述化合物或其立体异构体、外消旋体、几何异构体、同分异构体、原药、水合物、溶液或晶体形式，或其药学上可接受的盐，以及其药物组合物可用于治疗和/或预防由溴基团蛋白介导的相关疾病。
• [EN] COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR<br/>[FR] COMPOSÉ PRÉSENTANT UNE ACTIVITÉ INHIBITRICE DE BET, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION<br/>[ZH] 具有BET抑制活性的化合物及其制备方法和用途
  申请人：SHANGHAI HAIHE PHARMACEUTICAL CO LTD

  公开号：WO2019154329A1

  公开（公告）日：2019-08-15

  本发明属于药物化学领域。具体地，本发明涉及一系列具有新型结构的BET(bromodomain and extra-terminal domain)抑制剂，尤其是靶向BRD4(Bromodomain-containing protein 4)的抑制剂，及其制备方法和用途。其结构如下列通式(I)所示。这些化合物或其立体异构体、外消旋物、几何异构体、互变异构体、前药、水合物、溶剂化物、晶型或其药学上可接受的盐及药物组合物，可用于治疗或/和预防由溴结构域蛋白介导的相关疾病。
• Dunn, A. D.; Currie, A.; Hayes, L. E., Journal fur praktische Chemie (Leipzig 1954), 1989, vol. 331, # 3, p. 369 - 374
  作者：Dunn, A. D.、Currie, A.、Hayes, L. E.

  DOI：——

  日期：——
• DUNN, A. D.;CURRIE, A.;HAYES, L. E., J. PRAKT. CHEM., 331,(1989) N, C. 369-374
  作者：DUNN, A. D.、CURRIE, A.、HAYES, L. E.

  DOI：——

  日期：——
• DUNN, A. D.;NORRIE, R., J. PRAKT. CHEM., 332,(1990) N, C. 444-452
  作者：DUNN, A. D.、NORRIE, R.

  DOI：——

  日期：——