6-乙酰氨基-3-溴吡啶羧酸 | 882430-69-5

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 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: 6-乙酰氨基-3-溴吡啶羧酸
• 中文别名: 6-乙酰氨基-3-溴-2-甲酸吡啶
• 英文名称: 6-acetamido-3-bromopicolinic acid
• 英文别名: 6-acetamido-3-bromopyridine-2-carboxylic acid
• CAS: 882430-69-5
• 化学式: C₈H₇BrN₂O₃
• mdl: MFCD08235101
• 分子量: 259.059
• InChiKey: VDJNVGKMWAUADR-UHFFFAOYSA-N

物化性质

• 熔点：
  196-198

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  79.3
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-Acetamido-3-bromopicolinic acid
Synonyms: 6-Acetylamino-3-bromopyridine-2-carboxylic acid; 6-acetamido-3-bromo-2-pyridinecarboxylic acid;

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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: 6-Acetamido-3-bromopicolinic acid
CAS number: 882430-69-5

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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: C8H7BrN2O3
Molecular weight: 259.1

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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：

  6-乙酰氨基-3-溴吡啶羧酸 在 盐酸 、 二异丁基氢化铝 、 copper(II) sulfate 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 为溶剂， 反应 4.25h， 生成 N-(6-(1-amino-2-(3,5-difluorophenyl)ethyl)-5-bromopyridin-2-yl)acetamide hydrochloride
  参考文献：
  名称：

  [EN] (HETERO) ARYLACETAMIDE DERIVATIVES AS ANTIRETROVIRAL AGENTS
  [FR] DÉRIVÉS DE (HÉTÉRO)ARYLACÉTAMIDE SERVANT D'AGENTS ANTIRÉTROVIRAUX

  摘要：

  公式（I）的化合物或其药用可接受的盐已被披露。还披露了包括公式I化合物的药物组合物，用于制备公式（I）化合物的过程，用于制备公式I化合物的中间体以及治疗Retroviridae病毒感染的治疗方法，包括由HIV病毒引起的感染。

  公开号：

  WO2014110297A1
• 作为产物：
  描述：

  2-乙酰氨基-5-溴-6-甲基吡啶 在 吡啶 、 potassium permanganate 、 potassium carbonate 作用下， 生成 6-乙酰氨基-3-溴吡啶羧酸
  参考文献：
  名称：

  Bisaryl-sulfonamides

  摘要：

  提供了在治疗或预防由PPARγ或PPARδ介导的疾病或紊乱方面有用的化合物、组合物和方法。具体来说，本发明的化合物调节PPARγ或PPARδ的功能。该方法特别适用于治疗和/或预防糖尿病、肥胖症、高胆固醇血症、类风湿性关节炎和动脉粥样硬化。

  公开号：

  US20060084802A1

文献信息

• [EN] OREXIN 1 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RÉCEPTEUR DE L'OREXINE 1
  申请人：HEPTARES THERAPEUTICS LTD

  公开号：WO2020157474A1

  公开（公告）日：2020-08-06

  The disclosures herein relate to novel compounds of formula (1) and salts thereof, wherein V; W; X; Y; Z; R1; R2; R3; R4 and R5 are defined herein, and their use in treating, preventing, ameliorating, controlling or reducing the risk of neurological or psychiatric disorders associated with orexin receptors.

  本公开涉及公式（1）的新化合物及其盐，其中V；W；X；Y；Z；R1；R2；R3；R4和R5在此处定义，并其在治疗、预防、缓解、控制或降低与促觉素受体相关的神经或精神障碍的风险中的用途。
• Therapeutic compounds
  申请人：Gilead Sciences, Inc.

  公开号：US09050344B2

  公开（公告）日：2015-06-09

  Compounds of formula I: or pharmaceutically acceptable salts thereof are disclosed. Also disclosed are pharmaceutical compositions comprising a compound of formula I, processes for preparing compounds of formula I, intermediates useful for preparing compounds of formula I and therapeutic methods for treating a Retroviridae viral infection including an infection caused by the HIV virus.

  本发明揭示了化学式I的化合物，或其药学上可接受的盐。还揭示了包含化合物I的制药组合物，制备化合物I的方法，制备化合物I有用的中间体，以及治疗Retroviridae病毒感染的治疗方法，包括由HIV病毒引起的感染。
• THERAPEUTIC COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：US20140221346A1

  公开（公告）日：2014-08-07

  Compounds of formula I: or salts thereof are disclosed. Also disclosed are pharmaceutical compositions comprising a compound of formula I, processes for preparing compounds of formula I, intermediates useful for preparing compounds of formula I and therapeutic methods for treating a Retroviridae viral infection including an infection caused by the HIV virus.

  本文披露了公式I的化合物或其盐。还披露了包含公式I化合物的药物组合物，用于制备公式I化合物的方法，用于制备公式I化合物的中间体以及治疗由HIV病毒引起的aRetroviridae病毒感染的治疗方法。
• BISARYL-SULFONAMIDES
  申请人：Amgen Inc.

  公开号：EP1786782B1

  公开（公告）日：2010-03-31
• (HETERO) ARYLACETAMIDE DERIVATIVES AS ANTIRETROVIRAL AGENTS
  申请人：Gilead Sciences, Inc.

  公开号：EP2943481A1

  公开（公告）日：2015-11-18