1-(1-BOC-哌啶)吡唑-4-硼酸 | 1190875-39-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-(1-BOC-哌啶)吡唑-4-硼酸
• 中文别名: 1-(1-BOC-哌啶基)吡唑-4-硼酸；1-(1-叔丁氧羰基哌啶-4-基)吡唑-4-硼酸
• 英文名称: (1-(1-(tert-butoxycarbonyl)piperidin-4-yl)-1H-pyrazol-4-yl)boronic acid
• 英文别名: [1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]boronic acid
• CAS: 1190875-39-8
• 化学式: C₁₃H₂₂BN₃O₄
• 分子量: 295.146
• InChiKey: BDHMWOQIBZOHFK-UHFFFAOYSA-N

物化性质

• 沸点：
  481.5±55.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.13
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  87.8
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2933990090
• 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-(1-BOC-Piperidino)pyrazole-4-boronic acid
Synonyms: 1-(1-(tert-Butoxycarbonyl)piperidin-4-yl)-1H-pyrazol-4-ylboronic acid

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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-(1-BOC-Piperidino)pyrazole-4-boronic acid
CAS number: 1190875-39-8

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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, refrigerated.
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: C13H22BN3O4
Molecular weight: 295.1

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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：

  1-(1-BOC-哌啶)吡唑-4-硼酸 在 盐酸 、 四(三苯基膦)钯 、 caesium carbonate 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 1,4-二氧六环 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 1-((2S,4R)-2-methyl-4-((4-(1-(1-(4-(((2S,4R)-2-methyl-1-propionyl-1,2,3,4-tetrahydroquinolin-4-yl)amino)benzoyl)piperidin-4-yl)-1H-pyrazol-4-yl)phenyl)amino)-3,4-dihydroquinolin-1(2H)-yl)propan-1-one
  参考文献：
  名称：

  COMPOUND WITH ANTICANCER ACTIVITY

  摘要：

  提供具有抗癌活性的化合物，或其药用可接受的盐。所使用的化合物表示为以下式（I）或其药用可接受的盐： （其中，L1和L2相同或不同，每个代表从(A)到(F)式组成的一种式子所代表的基团，S代表从(S1)到(S18)式组成的一种式子所代表的基团）。

  公开号：

  US20210024540A1
• 作为产物：
  描述：

  4-(4-溴吡唑-1-基)哌啶-1-甲酸叔丁酯 、 2-甲氧基-4,4,5,5-四甲基-1,3,2-二氧硼戊环 、 水 在 异丙基氯化镁 、 氯化铵 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以1.8 kg的产率得到1-(1-BOC-哌啶)吡唑-4-硼酸
  参考文献：
  名称：

  一种克里唑替尼的制备方法

  摘要：

  本发明公开了一种克里唑替尼的制备方法，采用硼酸缩合制备中间体(V),克服了现有技术中原料硼酸酯不稳定，操作复杂，收率低，不利于大规模生产的缺点。是一种成本低廉、操作简便、收率高、光学纯度好且适用于大规模生产的克里唑替尼的制备方法。

  公开号：

  CN105294657B

文献信息

• [EN] PYRIMIDINE PYRAZOLYL DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRAZOLYL-PYRIMIDINE
  申请人：ARES TRADING SA

  公开号：WO2014008992A1

  公开（公告）日：2014-01-16

  The present invention provides compounds of Formula (I) for the treatment of cancer, rheumatoid arthritis and other diseases (I).

  本发明提供了用于治疗癌症、类风湿性关节炎和其他疾病的式(I)化合物。
• [EN] BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS<br/>[FR] COMPOSITIONS DE BENZOPIPÉRAZINE EN TANT QU'INHIBITEURS DE BROMODOMAINES BET
  申请人：BAIR KENNETH W

  公开号：WO2015074081A1

  公开（公告）日：2015-05-21

  The present invention relates to inhibitors of bromo and extra terminal (BET) bromodomains that are useful for the treatment of cancer, inflammatory diseases, diabetes, and obesity, having Formula (I): wherein X, Y, Z, R1, R2, R4 and R7 are defined herein.

  本发明涉及用于治疗癌症、炎症性疾病、糖尿病和肥胖的溴和末端（BET）溴结构域抑制剂，具有公式（I）：其中X、Y、Z、R1、R2、R4和R7的定义如下。
• [EN] AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE<br/>[FR] INHIBITEURS DE LIPASE ENDOTHÉLIALE À BASE DE BENZOTHIAZOLE LIÉS À UNE AMINE, L'URÉE OU UN SULFONE AMIDE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014015088A1

  公开（公告）日：2014-01-23

  The present invention provides compounds of Formula (I): as defined in the specification and compositions comprising any of such novel compounds. These compounds are endothelial lipase inhibitors which may be used as medicaments.

  本发明提供了如规范中定义的Formula (I)的化合物，以及包含任何此类新化合物的组合物。这些化合物是内皮脂酶抑制剂，可用作药物。
• [EN] HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS<br/>[FR] COMPOSÉS HÉTÉROARYLE ET LEUR UTILISATION COMME MÉDICAMENTS THÉRAPEUTIQUES
  申请人：DONG-A SOCIO HOLDINGS CO LTD

  公开号：WO2017039331A1

  公开（公告）日：2017-03-09

  The present invention provides heterocyclic compounds, the stereoisomer thereof, the enantiomer thereof, or the pharmaceutically acceptable salt, which are capable of modulating the activity of Mer receptor tyrosine kinase (MERTK). This invention also provides pharmaceutical compositions thereof, methods to prepare the said compounds, and the use of such compounds as a medicament. The present invention is directed to MERTK inhibitory compounds with marked potency, thereby having an outstanding potential for a pharmaceutical intervention of cancer and any other diseases related to MERTK dysregulation.

  本发明提供了一种杂环化合物、其立体异构体、对映异构体或药用可接受的盐，这些化合物能够调节Mer受体酪氨酸激酶（MERTK）的活性。本发明还提供了这些化合物的药物组合物、制备所述化合物的方法以及将这些化合物用作药物的应用。本发明针对的是具有显著活性的MERTK抑制性化合物，因此具有在癌症和任何与MERTK调控失调相关的疾病中进行药物干预的卓越潜力。
• PYRAZOLOPYRIDINE COMPOUNDS AND USES THEREOF
  申请人：Incyte Corporation

  公开号：US20180072718A1

  公开（公告）日：2018-03-15

  Disclosed are compounds of Formula (I), methods of using the compounds for inhibiting HPK1 activity and pharmaceutical compositions comprising such compounds. The compounds are useful in treating, preventing or ameliorating diseases or disorders associated with HPK1 activity such as cancer.

  公开了化合物的结构式（I），使用这些化合物抑制HPK1活性的方法以及包含这些化合物的药物组合物。这些化合物在治疗、预防或改善与HPK1活性相关的疾病或障碍，如癌症方面具有用处。