3,5-二溴吡啶-2-甲腈 | 61830-09-9

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3,5-二溴吡啶-2-甲腈
• 中文别名: 2-氰基-3,5-二溴吡啶
• 英文名称: 3,5-dibromopicolinonitrile
• 英文别名: 3,5-dibromopyridine-2-carbonitrile
• CAS: 61830-09-9
• 化学式: C₆H₂Br₂N₂
• mdl: MFCD08062674
• 分子量: 261.903
• InChiKey: SAKUQCVNSVHPIW-UHFFFAOYSA-N

物化性质

• 熔点：
  117-117.5 °C
• 沸点：
  314.8±42.0 °C(Predicted)
• 密度：
  2.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 储存条件：
  室温条件下。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3,5-Dibromopicolinonitrile
Synonyms: 3,5-Dibromo-2-cyanopyridine

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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: 3,5-Dibromopicolinonitrile
CAS number: 61830-09-9

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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.
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: C6H2Br2N2
Molecular weight: 261.9

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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：

  3,5-二溴吡啶-2-甲腈 在 硫酸 、 溶剂黄146 作用下， 以 正己烷 、 水 为溶剂， 生成 3,5-二溴甲基吡啶酸
  参考文献：
  名称：

  Cyclic compounds

  摘要：

  化合物的公式（I）或其药理学上可接受的盐，其中X为═CH—或═N—，Y为—NH—，—NR4—，—S—，—O—，—CH═N—，—N═CH—，—N═N—，—CH═CH—等，R1为较低的烷氧基，氨基，含N原子的杂环环，或者由含N原子的杂环环取代的羟基（每个都可以取代），R2为较低的烷基氨基基，可以由芳基取代，较低的烷氧基，可以由芳基取代，由含N原子的芳基取代的较低的烷氧基，R3为芳基，含N原子的杂环环，较低的烷基，较低的烷氧基，环状较低的烷氧基，由含N原子的杂环环取代的羟基，或者氨基（每个都可以取代），R3和Y中的取代基可以结合形成内酯环。本发明的化合物具有优异的选择性PDE V抑制活性，因此，可用作治疗或预防因cGMP信号传导功能障碍引起的各种疾病的药物。

  公开号：

  US20040142930A1
• 作为产物：
  描述：

  3,5-二溴吡啶 在 甲基三氧化铼(VII) 双氧水 、 三乙胺 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 35.08h， 生成 3,5-二溴吡啶-2-甲腈
  参考文献：
  名称：

  PICOLINAMIDE INHIBITORS OF KINASES

  摘要：

  本发明涉及公式（I）的化合物或药用可接受的盐，其中R1、R2、R3、A、B、Z、n和m在描述中有定义。本发明还涉及含有上述化合物的组合物，该组合物对抑制激酶如ALK有用，并且用于治疗癌症等疾病的方法。

  公开号：

  US20120190681A1

文献信息

• HIV INTEGRASE INHIBITORS
  申请人：ViiV Healthcare Company

  公开号：US20150225399A1

  公开（公告）日：2015-08-13

  The present invention features compounds that are HIV integrase inhibitors and therefore are useful in the inhibition of HIV replication, the prevention and/or treatment of infection by HIV, and in the treatment of AIDS and/or ARC.

  本发明具有作为HIV整合酶抑制剂的化合物，因此在抑制HIV复制、预防及/或治疗HIV感染以及治疗艾滋病及/或艾滋病相关综合症方面具有用途。
• [EN] 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS<br/>[FR] INHIBITEURS DE TYROSINE KINASE DE LA RATE (SYK) CONTENANT UN 2-PYRIDYL CARBOXAMIDE
  申请人：MERCK SHARP & DOHME

  公开号：WO2013052394A1

  公开（公告）日：2013-04-11

  The invention provides certain 2-pyridyl carboxamide-containing compounds of the Formula (I) or pharmaceutically acceptable salts thereof, wherein A and B are as defined herein. The invention also provides pharmaceutical compositions comprising such compounds, and methods of using the compounds for treating diseases or conditions mediated by Spleen Tyrosine Kinase (Syk) kinase.

  本发明提供了一些含有2-吡啶甲酰胺的化合物，其化学式为(I)或药用可接受的盐，其中A和B按本发明定义。本发明还提供了包含这些化合物的药物组合物，以及使用这些化合物来治疗由脾酪氨酸激酶（Syk）介导的疾病或状况的方法。
• [EN] BORON-CONTAINING SMALL MOLECULES<br/>[FR] PETITES MOLÉCULES CONTENANT DU BORE
  申请人：ANACOR PHARMACEUTICALS INC

  公开号：WO2017151489A1

  公开（公告）日：2017-09-08

  Compounds, pharmaceutical formulations, and methods of treating bacterial infections are disclosed.

  化合物、药物配方和治疗细菌感染的方法被披露。
• Substituted imidazolylmethyl pyridine and pyrazine deriviatives GABAa receptor ligands
  申请人：Neurogen Corporation

  公开号：US20030220348A1

  公开（公告）日：2003-11-27

  Substituted imidazolylmethyl pyridine and pyrazine derivatives that bind to GABA A receptors are provided. Such compounds may be used to modulate ligand binding to GABA A receptors in vivo or in vitro, and are particularly useful in the treatment of a variety of central nervous system (CNS) disorders in humans, domesticated companion animals and livestock animals. Compounds provided herein may be administered alone or in combination with one or more other CNS agents to potentiate the effects of the other CNS agent(s). Pharmaceutical compositions and methods for treating such disorders are provided, as are methods for using such ligands for detecting GABA A receptors (e.g., receptor localization studies).

  提供了取代的咪唑基甲基吡啶和吡嗪衍生物，这些衍生物能够结合到GABA A受体上。这类化合物可以用于调节体内或体外GABA A受体的配体结合，特别是在治疗人类、家养伴侣动物和家畜动物的各种中枢神经系统（CNS）疾病方面特别有用。本处提供的化合物可以单独使用，也可以与一个或多个其他CNS药物联合使用，以增强其他CNS药物的效果。还提供了用于治疗这些疾病的药物组合物和方法，以及使用这些配体来检测GABA A受体（例如，受体定位研究）的方法。
• [EN] PYRIDINE CARBAMATES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS<br/>[FR] CARBAMATES DE PYRIDINE ET LEUR UTILISATION EN TANT QUE MODULATEURS DU RÉCEPTEUR GLUN2B
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2020249799A1

  公开（公告）日：2020-12-17

  Pyridine carbamates, pharmaceutical compositions containing pyridine carbamates, and uses of the pyridine carbamates and pharmaceutical compositions for modulating GluN2B receptors and for treating diseases, disorders, and medical conditions mediated by GluN2B receptor activity.

  吡啶氨酸酯，含有吡啶氨酸酯的药物组合物，以及利用吡啶氨酸酯和含有吡啶氨酸酯的药物组合物调节GluN2B受体，并用于治疗由GluN2B受体活性介导的疾病、紊乱和医疗状况。