3-氨基呋喃并2,3-c吡啶-2-羧酸乙酯 | 927804-72-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 中文名称: 3-氨基呋喃并2,3-c吡啶-2-羧酸乙酯
• 中文别名: 3-氨基呋喃[2,3-C]并吡啶-2-甲酸乙酯
• 英文名称: ethyl 3-aminofuro[2,3-c]pyridine-2-carboxylate
• CAS: 927804-72-6
• 化学式: C₁₀H₁₀N₂O₃
• 分子量: 206.201
• InChiKey: HJTNMZXLOONCHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  78.4
• 氢给体数：
  1
• 氢受体数：
  5

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: Ethyl 3-aminofuro[2,3-c]pyridine-2-carboxylate
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: Ethyl 3-aminofuro[2,3-c]pyridine-2-carboxylate
CAS number: 927804-72-6

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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: C10H10N2O3
Molecular weight: 206.2

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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-氨基呋喃并2,3-c吡啶-2-羧酸乙酯 、 2-氯-5-甲氧基喹啉 在 2-二环己基磷-2,4,6-三异丙基联苯 potassium tert-butylate 、 1,3-双(2,6-二异丙基苯基)氯化咪唑鎓 作用下， 以 1,4-二氧六环 为溶剂， 以99%的产率得到Ethyl 3-(5-methoxyquinolin-2-ylamino)furo[2,3-c]pyridine-2-carboxylate
  参考文献：
  名称：

  Raf inhibitor compounds and methods of use thereof

  摘要：

  公式I的化合物对抑制Raf激酶和治疗由此介导的疾病有用。公开了使用公式I的化合物及其立体异构体、几何异构体、互变异构体、溶剂合物和药学上可接受的盐，在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗此类疾病或相关病理条件的方法。

  公开号：

  US20070049603A1
• 作为产物：
  描述：

  ethyl 3-(tert-butoxycarbonylamino)furo[2,3-c]pyridine-2-carboxylate 在 三氟乙酸 、 盐酸 、 水 、 sodium hydroxide 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 、 乙酸乙酯 为溶剂， 以66%的产率得到3-氨基呋喃并2,3-c吡啶-2-羧酸乙酯
  参考文献：
  名称：

  Raf inhibitor compounds and methods of use thereof

  摘要：

  公式I的化合物对抑制Raf激酶和治疗由此介导的疾病有用。公开了使用公式I的化合物及其立体异构体、几何异构体、互变异构体、溶剂合物和药学上可接受的盐，在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗此类疾病或相关病理条件的方法。

  公开号：

  US20070049603A1

文献信息

• Straightforward Access to Ethyl 3-Aminofuropyridine-2-carboxylates from 1-Chloro-2-cyano- or 1-Hydroxy-2-cyano-Substituted Pyridines
  作者：Sylvain Rault、Thomas Cailly、Stéphane Lemaître、Frédéric Fabis

  DOI：10.1055/s-2007-990810

  日期：2007.10

  The conditions of the synthesis of the four regioisomers of ethyl 3-aminofuropyridine-2-carboxylate are described and discussed in detail. The starting materials are either 1-chloro-2-cyano­pyridines or 1-cyano-2-hydroxypyridines.

  描述并详细讨论了合成四种乙基3-氨基呋喃吡啶-2-羧酸酯的条件。起始材料为1-氯-2-氰基吡啶或1-氰基-2-羟基吡啶。
• RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Array Biopharma, Inc.

  公开号：EP1934228A2

  公开（公告）日：2008-06-25
• [EN] RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSES INHIBITEURS DE LA RAF KINASE ET PROCEDES D'UTILISATION DE CEUX-CI
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2007027855A2

  公开（公告）日：2007-03-08

  [EN] Compounds of Formula I are useful for inhibiting Raf kinase and for treating disorders mediated thereby. Methods of using compounds of Formula I, and stereoisomers, geometric isomers, tautomers, solvates and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.
  [FR] L'invention concerne des composés représentés par la formule I, destinés à inhiber la Raf kinase et à traiter des troubles impliquant celle-ci; des procédés d'utilisation des composés représentés par la formule I, ainsi que des stéréo-isomères, des isomères géométriques, des tautomères, des solvates et des sels pharmaceutiquement acceptables de ceux-ci, pour diagnostiquer, prévenir ou traiter in vitro, in situ et in vivo de tels troubles dans des cellules de mammifère, ou des états pathologiques associés.
• Raf inhibitor compounds and methods of use thereof
  申请人：Miknis Greg

  公开号：US20070049603A1

  公开（公告）日：2007-03-01

  Compounds of Formula I are useful for inhibiting Raf kinase and for treating disorders mediated thereby. Methods of using compounds of Formula I, and stereoisomers, geometric isomers, tautomers, solvates and pharmaceutically acceptable salts thereof, 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的化合物对抑制Raf激酶和治疗由此介导的疾病有用。公开了使用公式I的化合物及其立体异构体、几何异构体、互变异构体、溶剂合物和药学上可接受的盐，在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗此类疾病或相关病理条件的方法。