3-氨基-5-溴-4-甲基-2(1H)-吡啶酮 | 889943-27-5

• 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-4-甲基-2(1H)-吡啶酮
• 中文别名: 2-羟基-3-氨基-4-甲基-5-溴吡啶
• 英文名称: 3-amino-5-bromo-4-methylpyridin-2-ol
• 英文别名: 3-amino-5-bromo-4-methyl-1H-pyridin-2-one
• CAS: 889943-27-5
• 化学式: C₆H₇BrN₂O
• 分子量: 203.038
• InChiKey: MJCZLSIEABVIDQ-UHFFFAOYSA-N

物化性质

• 沸点：
  288.5±40.0 °C(Predicted)
• 密度：
  1.671±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 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：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  应存放在室温、避光且充满惰性气体的环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Amino-5-bromo-4-methylpyridin-2-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-bromo-4-methylpyridin-2-ol
CAS number: 889943-27-5

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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: C6H7BrN2O
Molecular weight: 203.0

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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-4-甲基-2(1H)-吡啶酮 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 tris-(dibenzylideneacetone)dipalladium(0) 、 四(三苯基膦)钯 、 dimethyl sulfide borane 、 2-二叔丁基膦-2′,4′,6′-三异丙基-3,6-二甲氧基-1,1′-联苯 、 potassium acetate 、 potassium carbonate 、 caesium carbonate 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 水 、 甲苯 、 乙腈 为溶剂， 反应 38.0h， 生成 tert-butyl 7-(5-(bis(4-methoxybenzyl)amino)-2-((5-chloro-1-cyclopropyl-1H-pyrazol-4-yl)amino)-6-fluoroquinazolin-7-yl)-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-1-carboxylate
  参考文献：
  名称：

  [EN] 7-AZOLE SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1
  [FR] INHIBITEURS, DU TYPE 2-AMINOQUINAZOLINE À SUBSTITUTION 7-AZOLE, DE HPK1

  摘要：

  以下化合物(I)的药物可接受的盐是血液造血祖细胞激酶1(HPK1)的抑制剂，有用于治疗与HPK1相关的疾病或疾病的作用。本文还披露了这些化合物在潜在的治疗或预防HPK1相关疾病或疾病中的用途。本文还披露了包含一个或多个化合物的组合物。此外，本文还披露了这些组合物在潜在的预防或治疗HPK1相关疾病或疾病中的用途。

  公开号：

  WO2022098807A1
• 作为产物：
  描述：

  5-溴-4-甲基-3-硝基-2(1H)-吡啶酮 在 tin(ll) chloride 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以21%的产率得到3-氨基-5-溴-4-甲基-2(1H)-吡啶酮
  参考文献：
  名称：

  SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS

  摘要：

  该发明涉及式(I)的化合物及其药用可接受盐，其中取代基如本文所述，并且它们在医学上用于治疗与钙释放激活钙（CRAC）通道调节相关的疾病和紊乱。该发明还涉及含有这种化合物的药物组合物，用于治疗与钙释放激活钙（CRAC）通道调节剂相关的疾病和紊乱。其中，环D是式(a)或式(b)：A和B，可以相同也可以不同，分别独立地为CR3或N；Y为CR3或N；L选自—NR2C(O)—、—C(O)NR2—和—NR2CRaRb—；Ra和Rb独立地为氢、卤素或取代或未取代的烷基；环E选自式(i)至式(vii)。

  公开号：

  US20160145268A1

文献信息

• 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF
  申请人：Genentech, Inc.

  公开号：US20200108075A1

  公开（公告）日：2020-04-09

  3-Carbonylamino-8-aminoisoquinoline compounds of formula (I): variations thereof, 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 inhibiting HPK1, methods of treating HPK1-dependent disorders, methods for enhancing an immune response, and methods for preparing the 3-carbonylamino-8-aminoisoquinoline compounds.

  公式（I）的3-羰基氨基异喹啉化合物及其变体，以及它们作为HPK1（造血激酶1）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应答方面是有用的。还描述了抑制HPK1的方法，治疗HPK1依赖性疾病的方法，增强免疫应答的方法，以及制备3-羰基氨基异喹啉化合物的方法。
• [EN] 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1<br/>[FR] 2-AMINOQUINAZOLINE 7-PHÉNYL SUBSTITUÉE, INHIBITEURS DE HPK1
  申请人：MERCK SHARP & DOHME

  公开号：WO2022098806A1

  公开（公告）日：2022-05-12

  Compounds of the following formula (I); or the pharmaceutically acceptable salts thereof, are inhibitors of haematopoietic progenitor kinase 1 (HPK1) useful in the treatment of diseases or disorders associated with HPK1. Also disclosed herein are uses of these compounds in the potential treatment or prevention of an HPK1-associated disease or disorder. Also disclosed herein are compositions comprising one or more of the compounds. Further disclosed herein are uses of these compositions in the potential prevention or treatment of an HPK1-associated disease or disorder.

  以下公式（I）的化合物或其药学上可接受的盐是血液祖细胞激酶1（HPK1）的抑制剂，可用于治疗与HPK1相关的疾病或紊乱。本文还披露了这些化合物在潜在的治疗或预防HPK1相关疾病或紊乱中的用途。本文还披露了包含一种或多种化合物的组合物。本文还披露了这些组合物在潜在的预防或治疗HPK1相关疾病或紊乱中的用途。
• HPK1抑制剂、制备方法及其用途
  申请人：北京望实智慧科技有限公司

  公开号：CN116063329A

  公开（公告）日：2023-05-05

  本申请涉及HPK1抑制剂、制备方法及其用途。进一步，本申请属于医药领域，具体而言公开了式(I)化合物、其制备方法、含有该化合物的药物组合物、以及它们在制备用于预防和/或治疗HPK1介导的相关疾病的药物的用途。
• SUBSTITUTED AMIDES, METHODS OF MAKING, USE THEREOF FOR THE TREATMENT OF DISEASES SUCH AS CANCER
  申请人：CGI Pharmaceuticals, Inc.

  公开号：EP2188267A2

  公开（公告）日：2010-05-26
• INHIBITORS OF BRUTON'S TYROSINE KINASE
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2403846A1

  公开（公告）日：2012-01-11