3-氨基-5-溴吡啶-4-醇 | 101084-20-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 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: 3-氨基-5-溴吡啶-4-醇
• 中文别名: 3-氨基-4-羟基-5-溴吡啶
• 英文名称: 3-amino-5-bromopyridin-4-ol
• 英文别名: 3-amino-5-bromo-1H-pyridin-4-one
• CAS: 101084-20-2
• 化学式: C₅H₅BrN₂O
• mdl: MFCD08692340
• 分子量: 189.011
• InChiKey: DMZVRJHJGBNINH-UHFFFAOYSA-N

物化性质

• 熔点：
  230 °C (decomp)(Solv: water (7732-18-5))
• 沸点：
  434.6±45.0 °C(Predicted)
• 密度：
  1.898

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 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：
  55.1
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090
• WGK Germany：
  3
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Amino-5-bromopyridin-4-ol
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: 3-Amino-5-bromopyridin-4-ol
CAS number: 101084-20-2

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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: C5H5BrN2O
Molecular weight: 189.0

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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

反应信息

• 作为反应物：
  描述：

  3-氨基-5-溴吡啶-4-醇 在 sodium acetate 、 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 19.0h， 生成 8-bromo-4H-pyrido[4,3-b][1,4]oxazin-3-one
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS
  [FR] COMPOSÉS HÉTÉROCYCLIQUES

  摘要：

  这项发明提供了具有一般式(I)的新杂环化合物，其中A、L、Q、U、V、W、X、Z、m、n以及R1到R4如本文所述，包括这些化合物的组合物，制造这些化合物的过程以及使用这些化合物的方法。

  公开号：

  WO2021058416A1
• 作为产物：
  描述：

  3-溴-4-羟基-5-硝基吡啶 在 水 、 铁粉 、 氯化铵 作用下， 反应 5.0h， 生成 3-氨基-5-溴吡啶-4-醇
  参考文献：
  名称：

  [EN] SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS DE 5-CYANOINDOLE SUBSTITUÉS ET LEURS UTILISATIONS

  摘要：

  提供了一种化合物Formula (I)或其药用可接受的盐，已被证明对于治疗赖氨酸（K）特异性去甲基化酶1A（LSD1）介导的疾病或紊乱是有用的，Formula (I)，其中R1、R2、R3、R4和R5如本文所定义。

  公开号：

  WO2018234978A1

文献信息

• NAPHTHYRIDINES AS INHIBITORS OF HPK1
  申请人：Genentech, Inc.

  公开号：US20180282328A1

  公开（公告）日：2018-10-04

  Naphthyridine compounds and their use as inhibitors of HPK1 are described. The compounds are useful in treating HPK1-dependent disorders and enhancing an immune response. Also described are methods of inhibiting HPK1, methods of treating HPK1-dependent disorders, methods for enhancing an immune response, and methods for preparing the naphthyridine compounds.

  萘啶化合物及其作为HPK1抑制剂的用途被描述。这些化合物在治疗HPK1依赖性疾病和增强免疫反应方面很有用。还描述了抑制HPK1的方法、治疗HPK1依赖性疾病的方法、增强免疫反应的方法以及制备萘啶化合物的方法。
• ISOQUINOLINES AS INHIBITORS OF HPK1
  申请人：Genentech, Inc.

  公开号：US20180282282A1

  公开（公告）日：2018-10-04

  Isoquinoline compounds and their use as inhibitors of HPK1 (hematopoietic kinase 1) are described. The compounds are useful in treating HPK1-dependent disorders and enhancing an immune response. Also described are methods of inhibitng HPK1, methods of treating HPK1-dependent disorders, methods for enhancing an immune response, and methods for preparing the isoquinoline compounds.

  描述了异喹啉化合物及其作为HPK1（造血激酶1）抑制剂的用途。这些化合物在治疗依赖于HPK1的疾病和增强免疫应答方面非常有用。还描述了抑制HPK1的方法、治疗依赖于HPK1的疾病的方法、增强免疫应答的方法，以及制备异喹啉化合物的方法。
• [EN] SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE 5-CYANOINDOLE SUBSTITUÉS ET LEURS UTILISATIONS
  申请人：NOVARTIS AG

  公开号：WO2018234978A1

  公开（公告）日：2018-12-27

  A compound of Formula (I), or a pharmaceutically acceptable salt thereof, is provided that has been shown to be useful for the treatment of lysine (K)-specific demethylase 1A (LSD1) - mediated diseases or disorders, Formula (I), wherein R1, R2, R3, R4, and R5 are as defined herein.

  提供了一种化合物Formula (I)或其药用可接受的盐，已被证明对于治疗赖氨酸（K）特异性去甲基化酶1A（LSD1）介导的疾病或紊乱是有用的，Formula (I)，其中R1、R2、R3、R4和R5如本文所定义。
• [EN] N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS<br/>[FR] DÉRIVÉS DE N-(HÉTÉROARYL)-SULFONAMIDE UTILES COMME INHIBITEURS DE S100
  申请人：ACTIVE BIOTECH AB

  公开号：WO2014184234A1

  公开（公告）日：2014-11-20

  A compound of formula (I), or a pharmaceutically acceptable salt thereof and a pharmaceutical composition comprising the compound. The compound is an inhibitor of interactions between S100A9 and interaction partners such as RAGE, TLR4 and EMMPRIN and as such is useful in the treatment of disorders such as cancer, autoimmune disorders, inflammatory disorders and neurodegenerative disorders.

  化合物的化学式（I），或其药学上可接受的盐以及包含该化合物的药物组合物。该化合物是S100A9与相互作用伙伴（如RAGE、TLR4和EMMPRIN）之间相互作用的抑制剂，因此在治疗癌症、自身免疫性疾病、炎症性疾病和神经退行性疾病等疾病方面具有用处。
• N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS
  申请人：Active Biotech AB

  公开号：US20160115158A1

  公开（公告）日：2016-04-28

  A compound of formula (I), or a pharmaceutically acceptable salt thereof and a pharmaceutical composition comprising the compound. The compound is an inhibitor of interactions between S100A9 and interaction partners such as RAGE, TLR4 and EMMPRIN and as such is useful in the treatment of disorders such as cancer, autoimmune disorders, inflammatory disorders and neurodegenerative disorders.

  化合物(I)的配方，或其药学上可接受的盐和包含该化合物的药物组合物。该化合物是S100A9与相互作用伙伴如RAGE、TLR4和EMMPRIN之间相互作用的抑制剂，因此在治疗癌症、自身免疫性疾病、炎症性疾病和神经退行性疾病等疾病中有用。