4-氯-7-硝基喹唑啉 | 19815-17-9

• 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: 4-氯-7-硝基喹唑啉
• 中文别名: 4-氯-7-硝基喹唑
• 英文名称: 4-chloro-7-nitroquinazoline
• 英文别名: 7-nitro-4-chloroquinazoline
• CAS: 19815-17-9
• 化学式: C₈H₄ClN₃O₂
• 分子量: 209.592
• InChiKey: CCCGYXZEVXWXAU-UHFFFAOYSA-N

物化性质

• 熔点：
  146-147℃
• 沸点：
  380.0±22.0 °C(Predicted)
• 密度：
  1.566

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 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：
  71.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件为2-8°C，并需保存在惰性气体中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Chloro-7-nitroquinazoline
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-7-nitroquinazoline
CAS number: 19815-17-9

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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, refrigerated.

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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: C8H4ClN3O2
Molecular weight: 209.6

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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-7-硝基喹唑啉 在 sodium hydroxide 、 苯酚 作用下， 生成 2-(methylamino)-4-nitrobenzoic acid
  参考文献：
  名称：

  88.简单杂环系统的化学性质。第一部分。6和7-硝基-4-羟基喹唑啉及其衍生物的反应

  摘要：

  DOI：

  10.1039/jr9480000360
• 作为产物：
  描述：

  2-氨基-4-硝基苯甲酸 在 氯化亚砜 作用下， 以 乙二醇甲醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 4-氯-7-硝基喹唑啉
  参考文献：
  名称：

  新型结合物双[（（4-溴苯基）氨基）喹唑啉]，一种EGFR-TK配体，具有荧光Ru（II）-联吡啶复合物，在线粒体中具有特定的亚细胞定位。

  摘要：

  表皮生长因子受体（EGFR）是抗癌研究的关键目标，其在恶性肿瘤中的异常功能与关键细胞过程中的严重异常有关，包括细胞周期进程，增殖，分化和存活。跨膜或易位至线粒体和/或细胞核的EGFR突变体通常表现出对EGFR抑制剂的抗性。无创成像和定量EGFR的能力为EGFR相关恶性肿瘤的检测，监测和治疗提供了新颖的方法。当前的研究旨在提供一种新型的治疗剂，该试剂结合了荧光成像特性和EGFR抑制作用。这是通过结合内部开发的突变型EGFR-TK的（（4-溴苯基）氨基）喹唑啉抑制剂实现的，选自聚焦氨基喹唑啉文库，具有[Ru（bipyridine）3] 2+荧光团。使用具有（+）-可电离位点的三乙二醇衍生的二氨基接头来连接两个功能部分，从而提供两个空前的Ru偶联物，其Ru络合物的化学计量为1：1和2：1的氨基喹唑啉与Ru络合物（mono-quinazoline-Ru-conjugate）和双喹唑啉-Ru-共轭物

  DOI：

  10.1021/acs.molpharmaceut.9b00608

文献信息

• Alkynyl and azido-substituted 4-anilinoquinazolines
  申请人：Pfizer Inc.

  公开号：US05747498A1

  公开（公告）日：1998-05-05

  The invention relates to compounds of the formula ##STR1## and to pharmaceutically acceptable salts thereof, wherein R.sup.1, R.sup.2, R.sup.3, R.sup.4, n and m are as defined herein. The compounds of formula I are useful in the treatment of hyperproliferative diseases, such as cancer. The invention further relates to processes of making the compounds of formula I and to methods of using such compounds in the treatment of hyperproliferative diseases.

  该发明涉及公式##STR1##的化合物及其药用盐，其中R.sup.1、R.sup.2、R.sup.3、R.sup.4、n和m如本文所定义。公式I的化合物在治疗高增殖性疾病，如癌症方面是有用的。该发明还涉及制备公式I化合物的方法以及在治疗高增殖性疾病中使用这些化合物的方法。
• 4-heterocyclyl-substituted quinazoline derivatives, processes for their
  申请人：Pfizer Inc.

  公开号：US05736534A1

  公开（公告）日：1998-04-07

  This invention relates to certain 4-aminoquinazolines and the pharmaceutically acceptable salts and stereoisomers thereof, the formula whereof are described herein. The compounds are useful for the treatment of hyperproliferative diseases, particularly as anti-cancer agents.

  这项发明涉及某些4-氨基喹唑啉及其药用可接受的盐和立体异构体，其公式在本文件中有所描述。这些化合物用于治疗过度增殖性疾病，特别是作为抗癌剂。
• QUINAZOLINE DERIVATIVES
  申请人：Zhang Weihan

  公开号：US20100009958A1

  公开（公告）日：2010-01-14

  Quinazoline derivatives of the following formula: wherein R 1 , R 2 , R 3 , R 4 , R 5 , X, Y, and Z are defined herein. It also discloses a method of treating cancer with one of these compounds.

  以下是该公式的喹唑啉衍生物： 其中R1，R2，R3，R4，R5，X，Y和Z在此处定义。它还披露了使用这些化合物之一治疗癌症的方法。
• PROTOTYPE SYSTEMS OF THERANOSTIC BIOMARKERS FOR IN VIVO MOLECULAR MANAGEMENT OF CANCER
  申请人：ODYSSEOS Andreani

  公开号：US20160376298A1

  公开（公告）日：2016-12-29

  The present invention relates to a theranostic system comprising a beacon and a compound selected from the group consisting of a quinazoline-based tyrosine kinase inhibitor and a natural product. The theranostic systems have use in the therapy and diagnosis of tyrosine kinase related malignancies.

  本发明涉及一种治疗系统，包括一个信标和从喹唑啉基酪氨酸激酶抑制剂和天然产物组成的化合物中选择的一种。这种治疗系统在酪氨酸激酶相关恶性肿瘤的治疗和诊断中有用。
• 苯基脲偶联喹唑啉类化合物及其制备方法、药 物组合物及药物用途
  申请人：河北医科大学

  公开号：CN103382182B

  公开（公告）日：2016-08-10

  本发明提供一种式(I)所示的苯基脲偶联喹唑啉类化合物或其药学上可接受的盐，其中，R1为H;Br、Cl或F;‑CH3、‑CH2‑CH3、‑CH2(CH3)2或‑CF3;‑O‑CH3、‑O‑CH2‑CH3或‑O‑CH2(CH3）2；‑C≡CH或‑C≡N;n1为1、2、3、4或5;R2或R3之一为式(II)所示的基团;R4为H;Br、Cl或F;‑CH3、‑CH3‑CH3、‑CH2(CH3)2或‑CF3;‑O‑CH3、‑O‑CH2‑CH3或‑O‑CH2(CH3)2;‑NH2;或‑NO2;n2为1、2、3、4或5;R2或R3中的另外一个为H、‑O‑CH3、‑O‑CH2‑CH3、‑O‑CH2(CH3)2、或