4-氯-6-硝基喹啉 | 13675-94-0

• 物质功能分类: 医药中间体 - 喹啉类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 4-氯-6-硝基喹啉
• 英文名称: 4-chloro-6-nitroquinoline
• 英文别名: 4-Chlor-6-nitro-chinolin
• CAS: 13675-94-0
• 化学式: C₉H₅ClN₂O₂
• 分子量: 208.604
• InChiKey: FLKFKUSJAFUYDU-UHFFFAOYSA-N

物化性质

• 熔点：
  142.5 °C
• 沸点：
  351.4±22.0 °C(Predicted)
• 密度：
  1.484

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 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：
  58.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933499090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Chloro-6-nitroquinoline
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: 4-Chloro-6-nitroquinoline
CAS number: 13675-94-0

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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.
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: C9H5ClN2O2
Molecular weight: 208.6

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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.

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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：

  4-氯-6-硝基喹啉 在 zinc(II) cyanide 、 四(三苯基膦)钯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 6-nitroquinoline-4-carbonitrile
  参考文献：
  名称：

  [EN] HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS
  [FR] COMPOSÉS MODULATEURS DE FXR (NR1H4) CONTENANT DES GROUHYDROXY

  摘要：

  本发明涉及结合NR1 H4受体（FXR）并作为FXR激动剂的化合物（1）。本发明还涉及利用这些化合物（1）制备药物以治疗疾病和/或病况，通过这些化合物结合所述核受体，并涉及这些化合物的合成过程。

  公开号：

  WO2016096115A1
• 作为产物：
  描述：

  6-硝基喹唑啉-4(3H)-酮 在 三氯氧磷 作用下， 反应 0.17h， 生成 4-氯-6-硝基喹啉
  参考文献：
  名称：

  Contrast agents for myocardial perfusion imaging

  摘要：

  本公开涉及部分用于心肌灌注成像的化合物和方法，包括向患者注射一种对MC-1结合的化合物和成像基团构成的造影剂，并利用诊断成像对患者进行扫描。

  公开号：

  US20050191238A1

文献信息

• [EN] QUINOLINE AND QUINAZOLINE COMPOUNDS<br/>[FR] COMPOSÉS QUINOLÉINE ET QUINAZOLINE
  申请人：ACERTA PHARMA BV

  公开号：WO2016055982A1

  公开（公告）日：2016-04-14

  In some embodiments, the invention relates to quinazoline and quinoline compounds of Formula I: (I) or a pharmaceutically acceptable salt thereof, or to pharmaceutical compositions comprising these compounds and to their use in therapy. In particular, in some embodiments, the present invention relates to quinazoline and quinoline compounds, pharmaceutical compositions thereof, and the use of the compounds and pharmaceutical compositions in the treatment of Bruton's tyrosine kinase (BTK) mediated disorders.

  在某些实施例中，该发明涉及式I的喹唑啉和喹啉化合物：(I)或其药用可接受盐，或者涉及包含这些化合物的药物组合物以及它们在治疗中的应用。具体而言，在某些实施例中，本发明涉及喹唑啉和喹啉化合物、其药物组合物以及这些化合物和药物组合物在治疗布鲁顿氨基酸激酶（BTK）介导的疾病中的应用。
• THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES
  申请人：Kaplan Alan P.

  公开号：US20080306049A1

  公开（公告）日：2008-12-11

  The invention provides a novel chemical series of formula I, as well as methods of use thereof for binding to the benzodiazepine site of the GABA A receptor and modulating GABA A , and use of the compound of formula I for the treatment of GABA A receptor associated disorders. The general structure of formula I is shown below and can exist in tautomeric forms: The invention further provides a method of modulation of one or more GABA A subtypes in an animal comprising administering to the animal an effective amount of a compound of formula (I).

  这项发明提供了一种新颖的化学系列，其化学式为I，以及用于结合到GABA A 受体的苯二氮卓类位点并调节GABA A 的使用方法，以及用于治疗与GABA A 受体相关疾病的化合物的使用。化学式I的一般结构如下所示，并且可以存在互变异构体形式： 该发明还提供了一种在动物中调节一个或多个GABA A 亚型的方法，包括向动物投与化学式(I)化合物的有效量。
• Further studies on bis-charged tetraazacyclophanes as potent inhibitors of small conductance Ca2+-activated K+ channels
  作者：Donglai Yang、Lejla Arifhodzic、C. Robin Ganellin、Donald H. Jenkinson

  DOI：10.1016/j.ejmech.2013.02.029

  日期：2013.5

  Previously, quinolinium-based tetraazacyclophanes, such as UCL 1684 and UCL 1848, have been shown to be extraordinarily sensitive to changes in chemical structure (especially to the size of the cyclophane system) with respect to activity as potent non-peptidic blockers of the small conductance Ca2+-activated K+ ion channels (SKCa). The present work has sought to optimize the structure of the linking

  以前，已证明基于喹啉鎓的四氮杂环烷酮（例如UCL 1684和UCL 1848）作为有效的小肽非肽类阻滞剂，对化学结构的变化（尤其是对环庚烷体系的大小）非常敏感。电导Ca 2+激活的K +离子通道（SK Ca）。当前的工作试图优化UCL 1848中连接链的结构。我们报道了29个UCL 1848类似物的合成和SK Ca通道阻滞活性，其中UCL 1848的中心CH 2被其他基团X或取代。 Y = O，S，CF 2，C O，CHOH，C C，CHCH，CHMe，以探索键长或柔韧性的细微变化是否可以进一步提高效力。通过合成和测试带有取代基（NO 2，NH 2，CF 3，F，Cl，CH 3，OCH 3，OCF 3， OH）在氨基喹啉鎓环的5、6或7个位置上。与我们之前的工作一样，测定了每种化合物对大鼠交感神经元后超极化（AHP）的抑制作用，这种作用是由SK Ca通道的SK3亚型介导的。一种新化合物（39，R
• [EN] IMMUNOREGULATORY AGENTS<br/>[FR] AGENTS IMMUNORÉGULATEURS
  申请人：FLEXUS BIOSCIENCES INC

  公开号：WO2016073770A1

  公开（公告）日：2016-05-12

  Compounds that modulate the oxidoreductase enzyme indoleamine 2,3- dioxygenase, and compositions containing the compounds, are described herein. The use of such compounds and compositions for the treatment and/or prevention of a diverse array of diseases, disorders and conditions, including cancer- and immune-related disorders, that are mediated by indoleamine 2,3-dioxygenase is also provided.

  本文描述了调节氧化还原酶酶色氨酸2,3-二氧化酶的化合物，以及含有这些化合物的组合物。还提供了利用这些化合物和组合物治疗和/或预防多种疾病、紊乱和症状的用途，包括由色氨酸2,3-二氧化酶介导的癌症和免疫相关紊乱。
• [EN] AKT3 MODULATORS<br/>[FR] MODULATEURS D'AKT3
  申请人：GEORGIAMUNE LLC

  公开号：WO2021226517A1

  公开（公告）日：2021-11-11

  Compounds of Formula la, lb, or Ic,, are described, where the various substituents are defined herein. The compounds can modulate a property or effect of Akt3 in vitro or in vivo, and can also be used, individually or in combination with other agents, in the prevention or treatment of a variety of conditions. Methods for synthesizing the compounds are described. Pharmaceutical compositions and methods of using these compounds or compositions, individually or in combination with other agents or compositions, in the prevention or treatment of a variety of conditions are also described.

  公式Ia、Ib或Ic的化合物被描述，其中各种取代基在此处被定义。这些化合物可以在体外或体内调节Akt3的性质或效应，并且也可以单独或与其他药剂结合在预防或治疗各种疾病方面使用。描述了合成这些化合物的方法。还描述了使用这些化合物或组合物的药物组合物和使用这些化合物或组合物，单独或与其他药剂或组合物结合在预防或治疗各种疾病方面的方法。