4-(2-羟基-3-(吗啉)丙氧基)苯基硼酸频哪醇酯 | 756520-73-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-(2-羟基-3-(吗啉)丙氧基)苯基硼酸频哪醇酯
• 中文别名: 4-(2-羟基-3-(吗啉)丙氧基)苯硼酸频那醇酯
• 英文名称: 1-morpholin-4-yl-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenoxy]propan-2-ol
• 英文别名: 1-Morpholino-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propan-2-ol；1-morpholin-4-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-ol
• CAS: 756520-73-7
• 化学式: C₁₉H₃₀BNO₅
• 分子量: 363.262
• InChiKey: KWZNEYVPRBSKDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.06
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  60.4
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 海关编码：
  2934999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(2-Hydroxy-3-(morpholino)propoxy)phenylboronic acid, pinacol ester
Synonyms: 1-Morpholino-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propan-2-ol

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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: 4-(2-Hydroxy-3-(morpholino)propoxy)phenylboronic acid, pinacol ester
CAS number: 756520-73-7

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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.
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: C19H30BNO5
Molecular weight: 363.3

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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：

  5-溴-3-(1-(2,6-二氯-3-氟苯基)乙氧基)吡啶-2-胺 、 4-(2-羟基-3-(吗啉)丙氧基)苯基硼酸频哪醇酯 生成 1-(4-{6-amino-5-[1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridin-3-yl}-phenoxy)-3-morpholin-4-yl-propan-2-ol
  参考文献：
  名称：

  Aminoheteroaryl compounds as protein kinase inhibitors

  摘要：

  提供了公式（1）的氨基吡啶和氨基吡嗪化合物，包括这些化合物的组合物以及它们的使用方法。公式1的优选化合物具有作为蛋白激酶抑制剂的活性，包括作为c-MET抑制剂。

  公开号：

  US20070072874A1
• 作为产物：
  描述：

  吗啉 、 4-(2-环氧乙烷甲氧基)苯硼酸频哪醇酯 以 异丙醇 为溶剂， 反应 0.5h， 以97%的产率得到4-(2-羟基-3-(吗啉)丙氧基)苯基硼酸频哪醇酯
  参考文献：
  名称：

  [EN] MAP4K4 INHIBITORS
  [FR] INHIBITEURS DE MAP4K4

  摘要：

  这项发明涉及可能作为Mitogen-activated Protein Kinase Kinase Kinase Kinase-4（MAP4K4）抑制剂有用的化合物。发明还涉及这些化合物的使用，例如在治疗心脏疾病的方法中。特别是，本发明涉及公式（I）的化合物：

  公开号：

  WO2020115481A1

文献信息

• [EN] AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS<br/>[FR] COMPOSES D'AMINOHETEROARYLE UTILISES EN TANT QU'INHIBITEURS DE PROTEINE KINASE
  申请人：SUGEN INC

  公开号：WO2004076412A3

  公开（公告）日：2004-12-29
• [EN] MAP4K4 INHIBITORS<br/>[FR] INHIBITEURS DE MAP4K4
  申请人：IMPERIAL INNOVATIONS LTD

  公开号：WO2019073253A1

  公开（公告）日：2019-04-18

  This invention relates to pyrrolopyrimidine comprising compounds that may be useful as inhibitors of Mitogen-activated Protein Kinase Kinase Kinase Kinase-4 (MAP4K4). The invention also relates to the use of these pyrrolopyrimidine comprising compounds, for example in a method of treatment. There are also provided processes for producing compounds of the present invention and method of their use. In particular, the present invention relates to compounds of formula (I).

  这项发明涉及含有吡咯吡嘧啶的化合物，这些化合物可能作为丝裂原活化蛋白激酶激酶激酶激酶-4（MAP4K4）的抑制剂而有用。该发明还涉及利用这些含有吡咯吡嘧啶的化合物，例如在治疗方法中的使用。还提供了生产本发明化合物的方法以及它们的使用方法。具体而言，本发明涉及式（I）的化合物。
• Aminoheteroaryl compounds as protein kinase inhibitors
  申请人：Cui Jean Jingrong

  公开号：US20050009840A1

  公开（公告）日：2005-01-13

  Aminopyridine and aminopyrazine compounds of formula (1), compositions including these compounds, and methods of their use are provided. Preferred compounds of formula 1 have activity as protein kinase inhibitors, including as inhibitors of c-MET.

  提供了公式（1）的氨基吡啶和氨基吡嗪化合物、包括这些化合物的组合物以及它们的使用方法。公式1的优选化合物具有作为蛋白激酶抑制剂的活性，包括作为c-MET的抑制剂。