2,4-二氯-6-氟喹唑啉 | 134517-57-0

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 2,4-二氯-6-氟喹唑啉
• 中文别名: 2,4,5-三氯喹唑啉
• 英文名称: 2,4-dichloro-6-fluoro-quinazoline
• 英文别名: 2,4-Dichloro-6-fluoroquinazoline
• CAS: 134517-57-0
• 化学式: C₈H₃Cl₂FN₂
• 分子量: 217.03
• InChiKey: VLPYLGGGYDUVJN-UHFFFAOYSA-N

物化性质

• 沸点：
  277.3±22.0 °C(Predicted)
• 密度：
  1.571±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  13
• 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：
  25.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,4-Dichloro-6-fluoroquinazoline
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: 2,4-Dichloro-6-fluoroquinazoline
CAS number: 134517-57-0

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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: C8H3Cl2FN2
Molecular weight: 217.0

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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, hydrogen chloride, hydrogen fluoride.

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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：

  2,4-二氯-6-氟喹唑啉 在 水 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 以92 %的产率得到2-氯-4-氧-6-氟喹唑啉
  参考文献：
  名称：

  发现 N-(1-(6-Oxo-1,6-二氢嘧啶)-吡唑)乙酰胺衍生物作为新型非共价 DprE1 结核分枝杆菌抑制剂

  摘要：

  十异戊二烯基磷酰基-β- d-核糖氧化酶 (DprE1) 是治疗结核病 (TB) 的一个有前景的靶点。目前，大多数新型DprE1抑制剂都是通过高通量筛选发现的，而计算机辅助药物设计（CADD）策略有望促进发现过程。本研究借助基于结构的虚拟筛选和计算引导设计，鉴定出一系列具有显着抗分枝杆菌活性的新型支架N- (1-(6-氧代-1,6-二氢嘧啶)-吡唑)乙酰胺衍生物。其中，化合物LK-60和LK-75能够有效抑制Mtb的增殖，MIC Mtb值为0.78-1.56 μM，与异烟肼相当，远优于II期候选TBA-7371 （MIC Mtb = 12.5 μM） ）。 LK-60也是迄今为止最活跃的源自CADD的DprE1抑制剂。进一步的研究证实它们与 DprE1 具有高亲和力，对肠道微生物群和人类细胞具有良好的安全性，以及与利福平或乙胺丁醇的协同作用，表明它们具有广泛的临床应用潜力。

  DOI：

  10.1021/acs.jmedchem.3c01703
• 作为产物：
  描述：

  5-fluoro-β-(hydroxylimino)isatin 在 三光气 、 Tris(4-methoxyphenyl)phosphine oxide 作用下， 以 氯苯 为溶剂， 反应 6.0h， 以85%的产率得到2,4-二氯-6-氟喹唑啉
  参考文献：
  名称：

  由双（三氯甲基）碳酸酯和三芳基氧化膦介导的靛红-3-肟一锅级联环扩大为 2,4-二氯喹唑啉

  摘要：

  摘要 开发了一种直接从靛红-3-肟与双（三氯甲基）碳酸酯和三芳基膦氧化物直接高效、方便地一锅级联合成 2,4-二氯喹唑啉的方法，以中等至优异的收率获得取代的喹唑啉。与一系列官能团的兼容性证明了这种转化的效率。因此，该方法代表了合成取代的 2,4-二氯喹唑啉的一种方便实用的策略。图形概要

  DOI：

  10.1080/10426507.2020.1782910

文献信息

• [EN] OCTAHYDROPYRROLO [3, 4-c] PYRROLE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS D'OCTAHYDROPYRROLO [3, 4-C] PYRROLE ET LEURS UTILISATIONS
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2017088759A1

  公开（公告）日：2017-06-01

  The invention relates to octahydropyrrolo [3, 4-c] pyrrole derivatives and uses thereof. Compounds and pharmaceutical compositions comprising the compounds provided herein are used for antagonizing orexin receptors. The invention also relates to processes for preparing the compounds and pharmaceutical compositions, and uses thereof in treating or preventing a disease related to orexin receptors.

  这项发明涉及八氢吡咯并[3,4-c]吡咯衍生物及其用途。包括本文提供的化合物和药物组合物用于拮抗促觉醒素受体。该发明还涉及制备这些化合物和药物组合物的方法，以及在治疗或预防与促觉醒素受体相关的疾病中的用途。
• 八氢吡咯并[3,4-c]吡咯衍生物及其使用方法 和用途
  申请人：广东东阳光药业有限公司

  公开号：CN105949203B

  公开（公告）日：2018-07-13

  本发明涉及八氢吡咯并[3,4‑c]吡咯衍生物及其使用方法和用途。本发明所述的化合物以及包含该化合物的药物组合物用于拮抗食欲素受体。本发明还涉及制备这类化合物和药物组合物的方法，以及它们在治疗或预防与食欲素受体相关疾病中的用途。
• [EN] PIPERAZINE DERIVATIVES AS MAGL INHIBITORS<br/>[FR] DÉRIVÉS DE PIPÉRAZINE UTILISÉS EN TANT QU'INHIBITEURS DE MAGL
  申请人：HOFFMANN LA ROCHE

  公开号：WO2019072785A1

  公开（公告）日：2019-04-18

  The invention provides new heterocyclic compounds having general Formula (I), or a pharmaceutically acceptable salt thereof, wherein R1, R2, X, Y1 and Y2 are as described herein, compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds.

  这项发明提供了具有一般式（I）的新的杂环化合物，或其药用可接受的盐，其中R1、R2、X、Y1和Y2如本文所述，包括这些化合物的组合物，制造这些化合物的方法以及使用这些化合物的方法。
• [EN] PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSYNE KINASES<br/>[FR] DERIVES DE PYRAZOLE EN TANT QU'INHIBITEURS DE RECEPTEUR TYROSINE KINASES
  申请人：ASTRAZENECA AB

  公开号：WO2005049033A1

  公开（公告）日：2005-06-02

  Compounds of formula (I): and their use in the inhibition of Trk activity are described.

  化合物的化学式（I）及其在抑制Trk活性中的应用被描述。
• [EN] DIACYLGLYCEROL KINASE MODULATING COMPOUNDS<br/>[FR] COMPOSÉS MODULANT LA DIACYLGLYCÉROL KINASE
  申请人：CARNA BIOSCIENCES INC

  公开号：WO2021130638A1

  公开（公告）日：2021-07-01

  The present disclosure provides diacylglycerol kinase modulating compounds, and pharmaceutical compositions thereof, for treating cancer, including solid tumors, and viral infections, such as HIV or hepatitis B virus infection. The compounds can be used alone or in combination with other agents.

  本公开提供了调节二酰基甘油激酶的化合物以及用于治疗癌症（包括实体瘤）和病毒感染（如HIV或乙型肝炎病毒感染）的药物组合物。这些化合物可以单独使用或与其他药物联合使用。