3-甲基吡啶-2-硼酸 | 930303-26-7

• 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-甲基吡啶-2-硼酸
• 中文别名: 3-甲基-2-硼酸吡啶
• 英文名称: (3-methylpyridin-2-yl)boronic acid
• 英文别名: 3-Methylpyridine-2-boronic acid
• CAS: 930303-26-7
• 化学式: C₆H₈BNO₂
• mdl: MFCD00674178
• 分子量: 136.946
• InChiKey: RXEAFZXYIBHWII-UHFFFAOYSA-N

物化性质

• 沸点：
  323.9±44.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.49
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  53.4
• 氢给体数：
  2
• 氢受体数：
  3

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Methylpyridine-2-boronic acid
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-Methylpyridine-2-boronic acid
CAS number: 930303-26-7

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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, under −20◦C.
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: C6H8BNO2
Molecular weight: 136.9

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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.

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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-甲基吡啶-2-硼酸 在 potassium carbonate 、 钯 作用下， 以 四氢呋喃 、 水 、 甲苯 为溶剂， 反应 16.0h， 生成 2-(3-Bromo-5-dibenzofuran-2-ylphenyl)-3-methylpyridine
  参考文献：
  名称：

  ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME

  摘要：

  本公开提供了以下式子的有机化合物，以及包括该有机化合物的有机发光二极管和OLED器件。

  公开号：

  US20210024509A1
• 作为产物：
  描述：

  2-溴-3-甲基吡啶 、 硼酸三异丙酯 在 异丙基氯化镁 作用下， 以 四氢呋喃 、 乙醚 、 甲醚 为溶剂， 反应 4.0h， 以92%的产率得到3-甲基吡啶-2-硼酸
  参考文献：
  名称：

  [EN] TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS
  [FR] COMPOSITIONS DE TÉTRAHYDROQUINOLINE UTILISÉES COMME INHIBITEURS DE PROTÉINES À BROMODOMAINE ET DOMAINE EXTRATERMINAL (BET)

  摘要：

  公开号：

  WO2015074064A3

文献信息

• CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE
  申请人：Genentech, Inc.

  公开号：US20140088117A1

  公开（公告）日：2014-03-27

  Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds of Formula I, including stereoisomers, geometric isomers, tautomers, and pharmaceutically acceptable salts thereof, wherein R 2 is a cyclic ether and X is thiazolyl, pyrazinyl, pyridinyl, or pyrimidinyl, are useful for inhibiting Pim kinase, and for treating disorders such as cancer mediated by Pim kinase. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  公式I的环醚吡唑-4-基-杂环基-羧酰胺化合物，包括立体异构体、几何异构体、互变异构体和其药学上可接受的盐，其中R2为环醚，X为噻唑基、吡啶基、吡啶基或嘧啶基，可用于抑制Pim激酶，并用于治疗由Pim激酶介导的癌症等疾病。公开了使用公式I化合物进行体外、体内和体内诊断、预防或治疗哺乳动物细胞中的这类疾病或相关病理条件的方法。
• [EN] PYRAZOLO[3,4-B]PYRIDINES AND IMIDAZO[1,5-B]PYRIDAZINES AS PDE1 INHIBITORS<br/>[FR] PYRAZOLO[3,4-B]PYRIDINES ET IMIDAZO[1,5-B]PYRIDAZINES UTILISÉES EN TANT QU'INHIBITEURS DE PDE1
  申请人：H LUNDBECK AS

  公开号：WO2019121840A1

  公开（公告）日：2019-06-27

  The present invention provides compounds of formula (I) that are PDEl enzyme inhibitors and their use as a medicament, in particular for the treatment of neurodegenerative disorders and psychiatric disorders. The present invention also provides pharmaceutical compositions comprising compounds of the invention and methods of treating disorders using the compounds of the invention.

  本发明提供了化合物(I)的结构，这些化合物是PDEl酶抑制剂，可用作药物，特别是用于治疗神经退行性疾病和精神疾病。本发明还提供了包含本发明化合物的药物组合物以及使用这些化合物治疗疾病的方法。
• A Novel, Selective c-Abl Inhibitor, Compound 5, Prevents Neurodegeneration in Parkinson’s Disease
  作者：Seung-Hwan Kwon、Sangjune Kim、A Yeong Park、Saebom Lee、Changdev Gorakshnath Gadhe、Bo Am Seo、Jong-Sung Park、Suyeon Jo、Yumin Oh、Sin Ho Kweon、Shi-Xun Ma、Wonjoong R. Kim、Misoon Kim、Hyeongjun Kim、Jae Eun Kim、Seulki Lee、Jinhwa Lee、Han Seok Ko

  DOI：10.1021/acs.jmedchem.1c01022

  日期：2021.10.28

  Parkinson’s disease (PD) is a progressive neurodegenerative disorder that affects movement. The nonreceptor tyrosine kinase c-Abl has shown a potential role in the progression of PD. As such, c-Abl inhibition is a promising candidate for neuroprotection in PD and α-synucleinopathies. Compound 5 is a newly synthesized blood–brain barrier penetrant c-Abl inhibitor with higher efficacy than existing inhibitors

  帕金森病 (PD) 是一种影响运动的进行性神经退行性疾病。非受体酪氨酸激酶 c-Abl 已显示出在 PD 进展中的潜在作用。因此，c-Abl 抑制是 PD 和 α-突触核蛋白病中神经保护的有希望的候选者。Compound 5 是一种新合成的血脑屏障渗透性 c-Abl 抑制剂，其疗效高于现有抑制剂。当前研究的目的是证明化合物 5 对 PD 的 α-突触核蛋白预形成原纤维 (α-syn PFF) 小鼠模型的神经保护作用。化合物 5 显着降低了皮质神经元中由 α-syn PFF 引起的神经毒性、c-Abl 的激活和路易体病理。此外，化合物 5 显着改善了多巴胺能神经元的丧失、c-Abl 激活、路易体病理、神经炎症反应、体内。综上所述，这些结果表明化合物 5 可能是预防 PD 和 α-突触核蛋白病进展的药剂。
• 一种含有氰基的三环类化合物及其在抗肿瘤药物中的用途
  申请人：陈海鹏

  公开号：CN108467397A

  公开（公告）日：2018-08-31

  本发明公开了一种含有氰基的三环类化合物式（Ⅰ）及其在制备抗肿瘤药物中的用途，，其中：R1、R2、R3、R4各自独立的选自H、F或者CH3。本发明还公开了含有腈的三环类化合物式（Ⅰ）的合成方法。体外ALK激酶抑制活性实验中发现本发明化合物具有很好的ALK激酶抑制活性，可以作为抗肿瘤药物进行更加深入的研发。
• Naphthyridin derivatives
  申请人：Jaeschke Georg

  公开号：US20070078155A1

  公开（公告）日：2007-04-05

  The present invention relates to heterocyclic derivatives of formula I wherein R 1 , R 2 and R 3 are as defined in the description and claims, which compounds are metabotropic glutamate receptor 5 antagonists.

  本发明涉及公式I的杂环衍生物，其中R1、R2和R3如描述和要求中所定义，这些化合物是代谢型谷氨酸受体5拮抗剂。