噁唑并[4,5-c]吡啶-2-胺 | 114498-55-4

• 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 - 有机杂环化合物 - 恶唑并吡啶类
• 中文名称: 噁唑并[4,5-c]吡啶-2-胺
• 中文别名: 2-氨基吡啶并噁唑；恶唑并[4,5-C]吡啶-2-胺
• 英文名称: oxazolo[4,5-c]pyridin-2-amine
• 英文别名: [1,3]oxazolo[4,5-c]pyridin-2-amine
• CAS: 114498-55-4
• 化学式: C₆H₅N₃O
• 分子量: 135.125
• InChiKey: FJHYVYMTPVSYDO-UHFFFAOYSA-N

物化性质

• 沸点：
  324℃
• 密度：
  1.421
• 闪点：
  149℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.9
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  应存储在室温、避光条件下，并置于惰性气体环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Oxazolo[4,5-c]pyridin-2-amine
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: Oxazolo[4,5-c]pyridin-2-amine
CAS number: 114498-55-4

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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.
Storage: Store in closed vessels, under −20◦C.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H5N3O
Molecular weight: 135.1

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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：

  噁唑并[4,5-c]吡啶-2-胺 、 2-chloro-6-(trifluoromethyl)oxazolo[4,5-c]pyridine 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以104mg的产率得到N-(oxazolo[4,5-c]pyridin-2-yl)-6-(trifluoromethyl)oxazolo[4,5-c]pyridin-2-amine
  参考文献：
  名称：

  [EN] ANTIBIOTIC COMPOUNDS
  [FR] COMPOSÉS ANTIBIOTIQUES

  摘要：

  本发明涉及公式（I）的抗生素化合物，含有这些化合物的组合物，以及使用这些化合物治疗细菌性疾病和感染的方法。这些化合物在治疗革兰氏阳性和/或革兰氏阴性细菌引起的感染和疾病方面具有应用，特别是在治疗由淋病奈瑟菌引起的感染和疾病方面。

  公开号：

  WO2018037223A1
• 作为产物：
  描述：

  3-氨基-4-羟基吡啶 、 溴化氰 以 乙醇 为溶剂， 反应 24.0h， 以73%的产率得到噁唑并[4,5-c]吡啶-2-胺
  参考文献：
  名称：

  [EN] ANTIBIOTIC COMPOUNDS
  [FR] COMPOSÉS ANTIBIOTIQUES

  摘要：

  本发明涉及公式（I）的抗生素化合物，含有这些化合物的组合物，以及使用这些化合物治疗细菌性疾病和感染的方法。这些化合物在治疗革兰氏阳性和/或革兰氏阴性细菌引起的感染和疾病方面具有应用，特别是在治疗由淋病奈瑟菌引起的感染和疾病方面。

  公开号：

  WO2018037223A1

文献信息

• NOVEL COMPOUND FOR INHIBITING NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE AND COMPOSITION CONTAINING SAME
  申请人：Industry-Academic Cooperation Foundation Yonsei University

  公开号：EP3431472A2

  公开（公告）日：2019-01-23

  The present invention relates to a novel compounds for inhibiting nicotinamide phosphoribosyltransferase (NamPT), a composition comprising the same, and various uses thereof.

  本发明涉及一种用于抑制烟酰胺磷酸核糖转移酶（NamPT）的新型化合物、包含该化合物的组合物及其各种用途。
• ANTIBIOTIC COMPOUNDS
  申请人：Discuva Ltd.

  公开号：EP3500567A1

  公开（公告）日：2019-06-26
• [EN] NOVEL COMPOUND FOR INHIBITING NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE AND COMPOSITION CONTAINING SAME<br/>[FR] NOUVEAU COMPOSÉ POUR INHIBER LA NICOTINAMIDE PHOSPHORIBOSYLTRANSFÉRASE ET COMPOSITION CONTENANT LE NOUVEAU COMPOSÉ<br/>[KO] 니코틴아미드 포스포리보실트랜스퍼라제 억제용 신규 화합물 및 이를 포함하는 조성물
  申请人：INDUSTRY-ACADEMIC COOPERATION FOUNDATION YONSEI UNIV

  公开号：WO2017160116A2

  公开（公告）日：2017-09-21

  본 발명은 니코틴아미드 포스포리보실트랜스퍼라제(Nicotinamide phosphoribosyltransferase, NamPT) 억제용 신규 화합물과 이를 포함하는 조성물 및 이의 다양한 용도에 관한 것이다.
• [EN] GALACTOKINASE INHIBITORS<br/>[FR] INHIBITEURS DE GALACTOKINASE
  申请人：UNIV UTAH RES FOUND

  公开号：WO2021216812A1

  公开（公告）日：2021-10-28

  Described herein are compounds that inhibit galactokinase (GALK) and other kinases and methods for producing the same. Also described are methods for using Structure-Activity Relationships (SAR) to develop compounds with enhanced activity.
• [EN] ANTIBIOTIC COMPOUNDS<br/>[FR] COMPOSÉS ANTIBIOTIQUES
  申请人：DISCUVA LTD

  公开号：WO2018037223A1

  公开（公告）日：2018-03-01

  The present invention relates to antibiotic compounds of formula (I), to compositions containing these compounds and to methods of treating bacterial diseases and infections using the compounds. The compounds find application in the treatment of infection with, and diseases caused by, Gram-positive and/or Gram-negative bacteria, and in particular in the treatment of infection with, and diseases caused by, Neisseria gonorrhoeae.

  本发明涉及公式（I）的抗生素化合物，含有这些化合物的组合物，以及使用这些化合物治疗细菌性疾病和感染的方法。这些化合物在治疗革兰氏阳性和/或革兰氏阴性细菌引起的感染和疾病方面具有应用，特别是在治疗由淋病奈瑟菌引起的感染和疾病方面。