2-甲氧基-5-氟吡啶-4-硼酸 | 1043869-98-2

• 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 - 有机氧化合物
• 中文名称: 2-甲氧基-5-氟吡啶-4-硼酸
• 中文别名: 5-氟-2-甲氧基吡啶-4-硼酸
• 英文名称: (5-fluoro-2-methoxypyridin-4-yl)boronic acid
• 英文别名: 5-fluoro-2-methoxypyridine-4-boronic acid
• CAS: 1043869-98-2
• 化学式: C₆H₇BFNO₃
• 分子量: 170.936
• InChiKey: VGPMZARHJYGFSE-UHFFFAOYSA-N

物化性质

• 沸点：
  323.5±52.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.09
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  62.6
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Fluoro-2-methoxypyridine-4-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: 5-Fluoro-2-methoxypyridine-4-boronic acid
CAS number: 1043869-98-2

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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, 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: C6H7BFNO3
Molecular weight: 170.9

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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 fluoride.

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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-甲氧基-5-氟吡啶-4-硼酸 在 4-二甲氨基吡啶 、 bis-triphenylphosphine-palladium(II) chloride 、 N-溴代丁二酰亚胺(NBS) 、 lithium hydroxide monohydrate 、 potassium carbonate 、 N,N'-二环己基碳二亚胺 、 过氧化苯甲酰 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 四氯化碳 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 52.0h， 生成 (S)-3-(1-cyclopropyl-3-methoxy-3-oxopropyl)phenyl 3-((diisopropylamino)methyl)-4-(5-fluoro-2-methoxypyridin-4-yl)benzoate
  参考文献：
  名称：

  [EN] GPR40 AGONISTS
  [FR] AGONISTES DE GPR40

  摘要：

  这份公开信息至少部分涉及用于治疗涉及肠-脑轴的条件或疾病的GPR40激动剂。在某些实施例中，GPR40激动剂是肠道限制性化合物。在某些实施例中，GPR40激动剂是全激动剂或部分激动剂。在某些实施例中，所述条件或疾病是一种代谢紊乱，如糖尿病、肥胖、非酒精性脂肪肝炎（NASH）或一种营养紊乱，如短肠综合征。

  公开号：

  WO2020242943A1

文献信息

• [EN] SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS<br/>[FR] COMPOSÉS DE SULFONIMIDAMIDE EN TANT QUE MODULATEURS DE NLRP3
  申请人：GENENTECH INC

  公开号：WO2021150574A1

  公开（公告）日：2021-07-29

  Described herein are compounds of Formula (I), Formula (I-A), and Formula (I-B), solvates thereof, tautomers thereof, and pharmaceutically acceptable salts of the foregoing, Further described herein are methods of inhibiting NLRP3 using said compounds, and methods of and compositions useful in treating NLRP3-dependent disorders.

  本文描述了式(I)、式(I-A)和式(I-B)的化合物，以及它们的溶剂化物、互变异构体和上述化合物的药用可接受盐，此外，本文还描述了使用这些化合物抑制NLRP3的方法，以及用于治疗NLRP3依赖性疾病的方法和组合物。
• [EN] TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS<br/>[FR] DÉRIVÉS DE TROPOLONE ET LEURS TAUTOMÈRES POUR LA RÉGULATION DU FER CHEZ LES ANIMAUX
  申请人：AMBYS MEDICINES INC

  公开号：WO2021076945A1

  公开（公告）日：2021-04-22

  Disclosed are a series of compounds or their tautomers having a general structure represented by Formula la or lb and pharmaceutically acceptable salts thereof. Also disclosed are pharmaceutical compositions comprising said compounds or tautomers or pharmaceutically acceptable salts thereof. Further disclosure relates to a method of treating a disease or condition associated with iron dysregulation or dysfunctional iron homeostasis, comprising administering to a subject in need thereof a therapeutically effective amount of Formula la or lb compounds or tautomers or pharmaceutically acceptable salts thereof.

  本文披露了一系列化合物或其互变异构体，其具有由化学式Ia或Ib表示的一般结构以及其药学上可接受的盐。还披露了包括所述化合物或互变异构体或其药学上可接受的盐的药物组合物。进一步的披露涉及一种治疗与铁调节失调或铁稳态功能异常相关的疾病或症状的方法，包括向需要的受试者施用化学式Ia或Ib化合物或互变异构体或其药学上可接受的盐的治疗有效量。
• [EN] INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION<br/>[FR] INHIBITEURS D'HISTONE DÉSACÉTYLASE UTILES POUR LE TRAITEMENT OU LA PRÉVENTION D'UNE INFECTION PAR LE VIH
  申请人：MERCK SHARP & DOHME

  公开号：WO2020028150A1

  公开（公告）日：2020-02-06

  The present invention relates to Compounds of Formula (I): Formula (I) and pharmaceutically acceptable salts or prodrug thereof, wherein R1, R2, R3, Ra, Rb, A and B are as defined herein. The present invention also relates to compositions comprising at least one compound of Formula (I), and methods of using the compounds of Formula (I) for treating or preventing HIV infection in a subject.

  本发明涉及公式（I）的化合物：公式（I）及其药学上可接受的盐或前药，其中R1、R2、R3、Ra、Rb、A和B如本文所定义。本发明还涉及包含至少一种公式（I）化合物的组合物，以及使用公式（I）化合物治疗或预防受试者的HIV感染的方法。
• [EN] QUINOXALINE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS À BASE DE QUINOXALINE ET LEURS UTILISATIONS
  申请人：MILLENNIUM PHARM INC

  公开号：WO2015161142A1

  公开（公告）日：2015-10-22

  This invention provides compounds of formula I and subsets thereof: wherein T, J, R, R4, Rq, o, RA, and RB and subsets thereof are as described in the specification. The compounds are inhibitors of NAMPT and are thus useful for treating cancer, inflammatory conditions, or T-cell mediated autoimmune disease.

  这项发明提供了公式I及其子集的化合物：其中T、J、R、R4、Rq、o、RA和RB以及其子集如规范中所述。这些化合物是NAMPT的抑制剂，因此可用于治疗癌症、炎症性疾病或T细胞介导的自身免疫疾病。
• [EN] IMIDAZOPYRROLIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE<br/>[FR] DÉRIVÉS IMIDAZOPYRROLIDINONE ET LEUR UTILISATION DANS LE TRAITEMENT DE MALADIES
  申请人：NOVARTIS AG

  公开号：WO2014191894A1

  公开（公告）日：2014-12-04

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof; a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了化合物(I)或其药学上可接受的盐；制造本发明化合物的方法及其治疗用途。本发明还提供了药理活性剂的组合和药物组合物。