1-氨基-4-溴异喹啉 | 55270-27-4

• 物质功能分类: 医药中间体 - 杂环化合物 - 异喹啉类化合物
• 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: 1-氨基-4-溴异喹啉
• 中文别名: 4-溴异喹啉-1-胺
• 英文名称: 4-bromoisoquinolin-1-amine
• 英文别名: 1-Amino-4-bromisochinolin；1-amino-4-bromoisoquinoline
• CAS: 55270-27-4
• 化学式: C₉H₇BrN₂
• 分子量: 223.072
• InChiKey: YWOLBIUYICZCLK-UHFFFAOYSA-N

物化性质

• 熔点：
  152-153 °C
• 沸点：
  343.9±27.0 °C(Predicted)
• 密度：
  1.649±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 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：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933499090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromoisoquinolin-1-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: 4-Bromoisoquinolin-1-amine
CAS number: 55270-27-4

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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.
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: C9H7BrN2
Molecular weight: 223.1

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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, hydrogen bromide.

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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：

  1-氨基-4-溴异喹啉 在 氢氧化钾 作用下， 以 甲醇 、 水 为溶剂， 反应 1.0h， 生成 4-bromo-2-(4-bromo-1-imino-3-1H-isoquinolin-2-ylmethyl)-2H-isoquinolin-1-one
  参考文献：
  名称：

  一些杂环氮杂花菁的合成和反应。

  摘要：

  报道了一些氨基取代的杂环与二碘甲烷的一步反应以生成氮杂菁。该有用的反应比最初报道的有更广泛的应用，包括合成新的取代的吡啶基-，异喹啉基-，苯并咪唑基和苯并噻唑氮杂花菁7。此外，用碱处理这些氮杂花菁通常会影响二氢三嗪鎓环的容易打开，从而导致形成新的杂环10、11和12，很难用其他方法制备。在卤素取代的氮杂菁7b / c / d的情况下，该反应朝另一个方向发展，其中用碱处理会产生新的有趣的二吡啶三嗪14b / c / d衍生物。

  DOI：

  10.1021/jo001484k
• 作为产物：
  描述：

  1-氨基异喹啉 在 溴 、 溶剂黄146 作用下， 以 四氯化碳 为溶剂， 反应 1.0h， 以88%的产率得到1-氨基-4-溴异喹啉
  参考文献：
  名称：

  一些杂环氮杂花菁的合成和反应。

  摘要：

  报道了一些氨基取代的杂环与二碘甲烷的一步反应以生成氮杂菁。该有用的反应比最初报道的有更广泛的应用，包括合成新的取代的吡啶基-，异喹啉基-，苯并咪唑基和苯并噻唑氮杂花菁7。此外，用碱处理这些氮杂花菁通常会影响二氢三嗪鎓环的容易打开，从而导致形成新的杂环10、11和12，很难用其他方法制备。在卤素取代的氮杂菁7b / c / d的情况下，该反应朝另一个方向发展，其中用碱处理会产生新的有趣的二吡啶三嗪14b / c / d衍生物。

  DOI：

  10.1021/jo001484k

文献信息

• [EN] TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS<br/>[FR] AGENTS DE DÉGRADATION TRICYCLIQUES D'IKAROS ET D'AIOLOS
  申请人：C4 THERAPEUTICS INC

  公开号：WO2020210630A1

  公开（公告）日：2020-10-15

  Tricyclic cereblon binders for the degradation of Ikaros or Aiolos by the ubiquitin proteasome pathway for therapeutic applications are described.

  三环脑蛋白结合剂通过泛素蛋白酶体途径降解Ikaros或Aiolos以用于治疗应用的描述。
• [EN] BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE<br/>[FR] COMPOSÉS PYRIMIDINES BICYCLIQUES INHIBITEURS DE PI3K SÉLECTIFS POUR P110 DELTA, ET PROCÉDÉS D'UTILISATION
  申请人：GENENTECH INC

  公开号：WO2010138589A1

  公开（公告）日：2010-12-02

  Formula (I) ((Ia) and (Ib)) compounds wherein (i) X1 is N and X2 is S, (ii) X1 is CR7 and X2 is S, (iii) X1 is N and X2 is NR2, or (iv) X1 is CR7 and X2 is O, including stereoisomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting the delta isoform of PI3K, and for treating disorders mediated by lipid kinases such as inflammation, immunological, and cancer. Methods of using compounds of Formula (I) for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  公式（I）（（Ia）和（Ib））化合物，其中（i）X1为N且X2为S，（ii）X1为CR7且X2为S，（iii）X1为N且X2为NR2，或（iv）X1为CR7且X2为O，包括其立体异构体，互变异构体，代谢物和药用可接受盐，用于抑制PI3K的δ异构体，并用于治疗由脂质激酶介导的疾病，如炎症，免疫和癌症。公开了使用公式（I）化合物进行体外，体内和体内诊断，预防或治疗哺乳动物细胞中的这类疾病或相关病理状况的方法。
• PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS
  申请人：Janssen Biotech, Inc.

  公开号：US20180170909A1

  公开（公告）日：2018-06-21

  Disclosed are compounds, compositions and methods for treating of diseases, syndromes, conditions, and disorders that are affected by the modulation of MALT1. Such compounds are represented by Formula (I) as follows: wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 5 , G 1 , and G 2 are defined herein.

  揭示了一种通过调节MALT1来治疗受影响的疾病、综合症、症状和疾病的化合物、组合物和方法。这些化合物由以下式（I）表示：其中R1、R2、R3、R4、R5、R6、R5、G1和G2在此处定义。
• 一种新型含有氨基的酮内酯衍生物、制备方法 及应用
  申请人：北京理工大学

  公开号：CN106916194B

  公开（公告）日：2020-05-08

  本发明提供了一种新型含有氨基的酮内酯衍生物、制备方法及应用。所述新型含有氨基的酮内酯衍生物为具有下述通式Ⅰ或通式Ⅱ的化合物，或所述新型含有氨基的酮内酯衍生物为具有所述通式Ⅰ或所述通式Ⅱ的化合物与无机酸或有机酸形成的可接受的盐；其中，所述通式Ⅰ或所述通式Ⅱ中，Ar代表的取代基为氨基取代的杂芳基或氨基甲酰基取代的杂芳基；所述杂芳基为5‑18元杂芳基。
• ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME
  申请人：DOOSAN CORPORATION

  公开号：US20190263806A1

  公开（公告）日：2019-08-29

  The present invention relates to a novel compound and an organic electroluminescent device including the same, and the compound according to the present invention is used in an organic material layer of an organic electroluminescent device, preferably an electron transport layer or a hole blocking layer, and may increase luminous efficiency, driving voltage and lifespan of the organic electroluminescent device.

  本发明涉及一种新型化合物和包括该化合物的有机电致发光器件，根据本发明的化合物用于有机电致发光器件的有机材料层，优选为电子传输层或阻挡层，并且可以提高有机电致发光器件的发光效率、驱动电压和寿命。