4-氨基喹唑啉 | 15018-66-3

• 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 - 二氮杂萘
• 中文名称: 4-氨基喹唑啉
• 中文别名: 喹啉-4-胺；4-喹唑啉胺
• 英文名称: 4-Aminoquinazoline
• 英文别名: quinazolin-4-amine；quinazolin-4-ylamine
• CAS: 15018-66-3
• 化学式: C₈H₇N₃
• mdl: MFCD00092016
• 分子量: 145.164
• InChiKey: DRYRBWIFRVMRPV-UHFFFAOYSA-N

物化性质

• 熔点：
  274-275℃
• 沸点：
  328.3±17.0 °C(Predicted)
• 密度：
  1.292±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 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：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933990090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H317,H319

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Quinazolin-4-ylamine
Synonyms: 4-Aminoquinazoline

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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: Quinazolin-4-ylamine
CAS number: 15018-66-3

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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: C8H7N3
Molecular weight: 145.2

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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：

  4-氨基喹唑啉 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以53%的产率得到4-肼基喹唑啉
  参考文献：
  名称：

  （E）-4-（2-（吡啶-2-基亚甲基）肼基）喹唑啉与非甾体抗炎药双氯芬酸钠的Zn（II）配合物：结构，DNA结合和光裂解研究，抗氧化活性和与白蛋白的相互作用。

  摘要：

  在不存在或存在非甾体类抗炎药双氯芬酸钠的情况下，进行了新型喹唑啉（E）-4-（2-（吡啶-2-基亚甲基）肼基）喹唑啉（L）与Zn 2+的相互作用。（Nadicl）并形成络合物[Zn（L）2 ]（NO 3）2 ·MeOH（1 ·MeOH）和[Zn（L）（dicl-O）2 ]·MeOH（2 ·MeOH），分别。两种配合物通过IR和1 H NMR光谱以及单晶X射线晶体学表征。在这些复合物中，L通过喹唑啉，和吡啶氮原子三齿配位于Zn（II）。已经进行了有关化合物对小胸腺（CT）DNA和超螺旋环状pBluescript KS II质粒DNA（pDNA）行为的进一步研究。配合物可以通过嵌入与CT DNA结合，配合物1的结合亲和力比2高。复合物可在不存在或存在UVA，UVB或可见光照射的情况下切割pDNA，最活跃的pDNA裂解剂是化合物1。计算化合物对牛血清白蛋白的结合常数，并确定化合物较喜欢结合的白蛋

  DOI：

  10.1016/j.jinorgbio.2020.111194
• 作为产物：
  描述：

  4-羟基喹唑啉 在 苯基磷二酰胺 作用下， 生成 4-氨基喹唑啉
  参考文献：
  名称：

  肌酐新异构体的合成及其在食品诱变剂2-氨基-1-甲基-6-苯基-1 H-咪唑并[4,5- b ]吡啶（PHIP）中的应用

  摘要：

  的碱诱导的环化Ñ '-cyanomethyl- ñ '甲基脲给出1-甲基-4-氨基-咪唑-2-酮，这反过来又被冷凝与3-羟基-2- phenylacrolein，得到咪唑并[4,5 - b ]吡啶，其被转换成2-氨基-1-甲基-6-苯基-1 ħ -咪唑并[4,5- b ]吡啶（PHIP）。

  DOI：

  10.1016/j.tetlet.2009.07.091

文献信息

• [EN] AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE<br/>[FR] DÉRIVÉS D'AMINOQUINAZOLINE ET LEURS SELS ET PROCÉDÉS D'UTILISATION
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2013071697A1

  公开（公告）日：2013-05-23

  The present invention relates to the field of medicine. Provided herein are aminoquinazoline derivatives, their salts and pharmaceutical formulations useful in modulating the protein tyrosine kinase activity, and in modulating inter-and/or intra-cellular signaling. Also provided herein are pharmaceutically acceptable compositions comprising the aminoquinazoline compounds and methods of using the compositions in the treatment of hyperproliferative disorders in mammals, especially humans.

  本发明涉及医学领域。本文提供了氨基喹唑啉衍生物、其盐和药物配方，用于调节蛋白酪氨酸激酶活性，以及调节细胞间和/或细胞内信号传导。本文还提供了包含氨基喹唑啉化合物的药用可接受组合物，以及使用这些组合物治疗哺乳动物，特别是人类的增生性疾病的方法。
• AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE
  申请人：SUNSHINE LAKE PHARMA CO., LTD.

  公开号：US20140228361A1

  公开（公告）日：2014-08-14

  The present invention relates to the field of medicine. Provided herein are aminoquinazoline derivatives, their salts and pharmaceutical formulations useful in modulating the protein tyrosine kinase activity, and in modulating inter- and/or intra-cellular signaling. Also provided herein are pharmaceutically acceptable compositions comprising the aminoquinazoline compounds and methods of using the compositions in the treatment of hyperproliferative disorders in mammals, especially humans.

  本发明涉及医学领域。本文提供了氨基喹唑啉衍生物，其盐和药物配方在调节蛋白酪氨酸激酶活性以及调节细胞间和/或细胞内信号传导方面具有用处。本文还提供了包含氨基喹唑啉化合物的药用可接受组合物，以及在治疗哺乳动物，特别是人类的增生性疾病中使用这些组合物的方法。
• [EN] QUINAZOLINE DERIVATIVES<br/>[FR] DERIVES DE QUINAZOLINE
  申请人：ASTRAZENECA AB

  公开号：WO2005028469A1

  公开（公告）日：2005-03-31

  The invention concerns quinazoline derivatives of Formula (I): wherein each of R1, X1, R2, R3, R5, n and m have any of the meanings defined in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use as an antiproliferative agent in the prevention or treatment of tumours which are sensitive to inhibition of EGF and erbB receptor tyrosine kinases.

  这项发明涉及式(I)的喹唑啉衍生物：其中R1、X1、R2、R3、R5、n和m中的每一个具有描述中定义的任意含义；它们的制备方法，含有它们的药物组合物以及它们在制造用作抗增殖剂的药物时的用途，用于预防或治疗对EGF和erbB受体酪氨酸激酶抑制敏感的肿瘤。
• [EN] MONO AND BICYCLIC RING BORONIC ACID, ESTER AND SALT COMPOUNDS AS INHIBITORS OF P97 COMPLEX<br/>[FR] COMPOSÉS D'ESTER, DE SEL ET D'ACIDE BORONIQUE À NOYAU MONOCYCLIQUE ET BICYCLIQUE EN TANT QU'INHIBITEURS DE COMPLEXE P97
  申请人：CLEAVE BIOSCIENCES INC

  公开号：WO2016200840A1

  公开（公告）日：2016-12-15

  Monocyclic or bicyclic ring boronic acid or ester compounds having an arylalkyi amine substituent at the 4 position and a substituted 5:6 bicyclic group at the 2 position of the mono or bicyclic ring boronic acid or ester as well as optional aliphatic, functional and/or aromatic components substituted at other positions of the mono or bicyclic boronic acid or ester compounds are disclosed. These compounds are inhibitors of the AAA proteasome complex containing p97 and are effective medicinal agents for treatment of diseases associated with the Valosin containing protein and p97 bioactivity such as cancer. Formula (I).

  单环或双环硼酸或硼酸酯化合物，在4位具有芳烷基胺取代基，在单环或双环硼酸或硼酸酯的2位具有取代的5:6双环基团，以及在单环或双环硼酸或硼酸酯化合物的其他位置可选地取代有脂肪族、功能性和/或芳香族组分。这些化合物是含有p97的AAA蛋白酶体的抑制剂，并且是治疗与含有Valosin蛋白和p97生物活性相关的疾病的有效药物，如癌症。公式(I)。
• [EN] CONDENSED PYRIDINES AND PYRIMIDINES AND THEIR USE AS ALK-5 RECEPTOR LIGANDS<br/>[FR] PYRIDINES ET PYRIMIDINES CONDENSEES ET LEUR UTILISATION EN TANT QUE LIGANDS DU RECEPTEUR ALK-5
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2004065392A1

  公开（公告）日：2004-08-05

  Therapeutically active substituted quinoline and quinazoline compounds derivatives of formula (I) wherein X is N or CH, Y is NH, N (alkyl) or NH-CH2, and R2 and R3 are specified heterorings, the use thereof in therapy, particularly in the treatment or prophylaxis of disorders characterised by overexpression of transforming growth factor β (TGF-β), and pharmaceutical compositions for use in such therapy are disclosed.

  治疗上有效的取代喹啉和喹唑啉化合物，其公式（I）中X是N或CH，Y是NH、N（烷基）或NH-CH2，R2和R3是特定的杂环，其在治疗中的用途，特别是在治疗或预防转化生长因子β（TGF-β）过度表达的疾病中的用途，以及用于此类治疗的药物组合物被披露。

表征谱图