2-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶 | 864754-22-3

• 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: 2-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶
• 中文别名: 1-（吡啶-2-基甲基）-1H-吡唑-4-硼酸，频哪醇酯
• 英文名称: 2-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)pyridine
• 英文别名: 2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine
• CAS: 864754-22-3
• 化学式: C₁₅H₂₀BN₃O₂
• 分子量: 285.154
• InChiKey: MITHCPNYDGADHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.63
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  49.2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 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: 1-(Pyridin-2-ylmethyl)-1H-pyrazole-4-boronic acid, pinacol ester
Synonyms: 2-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-ylmethyl]-pyridine

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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: 1-(Pyridin-2-ylmethyl)-1H-pyrazole-4-boronic acid, pinacol ester
CAS number: 864754-22-3

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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: C15H20BN3O2
Molecular weight: 285.1

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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.

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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-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶 、 N-(3-((7-bromo-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy)phenyl)acrylamide 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 6.0h， 以60.22%的产率得到N-(3-((7-(1-(pyridin-2-ylmethyl)-1H-pyrazol-4-yl)-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy)phenyl)acrylamide
  参考文献：
  名称：

  杂芳化合物及其在药物中的应用

  摘要：

  本发明公开了杂芳化合物及其在药物中的应用，具体地，本发明提供一类杂芳化合物或其立体异构体，几何异构体，互变异构体，消旋体，氮氧化物，水合物，溶剂化物，代谢产物，药学上可接受的盐或前药，以及包含所述化合物的药物组合物；本发明还公开了所述化合物或其药物组合物在制备药物中的用途，及其在治疗自体免疫疾病或增殖性疾病方面的应用。

  公开号：

  CN106749268B
• 作为产物：
  描述：

  4-吡唑硼酸频哪醇酯 、 2-(溴甲基)吡啶氢溴酸盐 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 20.5h， 以51.7%的产率得到2-[[4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-1H-吡唑-1-基]甲基]-吡啶
  参考文献：
  名称：

  杂芳化合物及其在药物中的应用

  摘要：

  本发明公开了杂芳化合物及其在药物中的应用，具体地，本发明提供一类杂芳化合物或其立体异构体，几何异构体，互变异构体，消旋体，氮氧化物，水合物，溶剂化物，代谢产物，药学上可接受的盐或前药，以及包含所述化合物的药物组合物；本发明还公开了所述化合物或其药物组合物在制备药物中的用途，及其在治疗自体免疫疾病或增殖性疾病方面的应用。

  公开号：

  CN106749268B

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20150322063A1

  公开（公告）日：2015-11-12

  A compound represented by Formula [1] (in the formula, Z 1 represents N, CH, or the like; X 1 represents NH or the like; R 1 represents a heteroaryl group or the like; each of R 2 , R 3 , and R 4 represents a hydrogen atom, a halogen atom, an alkoxy group, or the like; and R 5 represents a heteroaryl group or the like) or salt thereof.

  由式[1]表示的化合物（在该式中，Z表示N、CH或类似物；X表示NH或类似物；R表示杂环烷基或类似物；R2、R3和R4中的每一个表示氢原子、卤原子、烷氧基或类似物；R5表示杂环烷基或类似物）或其盐。
• [EN] 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE 3-(PYRAZOLYL)-1H-PYRROLO[2,3-B]PYRIDINE EN TANT QU'INHIBITEURS DE KINASE
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2014006554A1

  公开（公告）日：2014-01-09

  The present application relates to novel 3-(pyrazolyl)-lH-pyrrolo[2,3-b]pyridine derivatives of formula (I), as protein kinase inhibitors. The invention particularly relates to compounds of formula (I), preparation of compounds and pharmaceutical compositions thereof. The invention further relates to pharmaceutically acceptable salts and compositions comprising the said novel 3-(pyrazolyl)-lH-pyrrolo[2,3-b]pyridine derivatives and their use in the treatment of various disorders.

  本申请涉及一种新型的3-(吡唑基)-lH-吡咯并[2,3-b]吡啶衍生物，其化学式为(I)，作为蛋白激酶抑制剂。该发明特别涉及化合物的化学式(I)、化合物的制备以及其药物组成。该发明还涉及药用可接受的盐和组合物，包括所述新型的3-(吡唑基)-lH-吡咯并[2,3-b]吡啶衍生物及其在治疗各种疾病中的应用。
• BICYCLIC HETEROCYCLES AS FGFR INHIBITORS
  申请人：Incyte Corporation

  公开号：US20210106588A1

  公开（公告）日：2021-04-15

  The present invention relates to bicyclic heterocycles, and pharmaceutical compositions of the same, that are inhibitors of the FGFR enzyme and are useful in the treatment of FGFR-associated diseases such as cancer.

  这项发明涉及双环杂环化合物及其药物组合物，这些化合物是FGFR酶的抑制剂，可用于治疗与FGFR相关的疾病，如癌症。
• PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES
  申请人：Michaelides Michael R.

  公开号：US20110281842A1

  公开（公告）日：2011-11-17

  The present invention relates to compounds of formula (I) or pharmaceutical acceptable salts, wherein A, B, R 1 , R 2 , R 3 , R 4a , R 5 , and Z are defined in the description. The present invention relates also to methods of making said compounds, and compositions containing said compounds which are useful for inhibiting kinases such as aurora.

  本发明涉及式(I)的化合物或药用可接受的盐，其中A、B、R1、R2、R3、R4a、R5和Z在描述中有定义。本发明还涉及制备所述化合物的方法，以及含有所述化合物的组合物，用于抑制aurora等激酶。
• Isoindolone compounds and their use as metabotropic glutamate receptor potentiators
  申请人：Clayton Joshua

  公开号：US20090275578A1

  公开（公告）日：2009-11-05

  The present invention is directed to compounds of formula I: wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 and n are as defined for formula I in the description. The invention also relates to processes for the preparation of the compounds and to new intermediates employed in the preparation, pharmaceutical compositions containing the compounds, and to the use of the compounds in therapy.

  本发明涉及式I的化合物：其中R1，R2，R3，R4，R5，R6，R7，R8，R9和n在描述中定义为式I。本发明还涉及制备该化合物的过程，以及用于制备的新中间体，含有该化合物的制药组合物，以及在治疗中使用该化合物。