2-氨基-3-溴-4-甲基吡啶 | 40073-38-9

• 物质功能分类: 医药中间体 - 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: 2-氨基-3-溴-4-甲基吡啶
• 中文别名: 3-溴-4-甲基吡啶-2-胺
• 英文名称: 2-amino-3-bromo-4-methylpyridine
• 英文别名: 3-bromo-4-methylpyridin-2-amine；2-Amino-3-brom-4-methyl-pyridin；2-Amino-3-bromo-4-picoline
• CAS: 40073-38-9
• 化学式: C₆H₇BrN₂
• 分子量: 187.039
• InChiKey: PDFCXUVNUUYYOI-UHFFFAOYSA-N

物化性质

• 沸点：
  255.2±35.0 °C(Predicted)
• 密度：
  1.593±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H320,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Amino-3-bromo-4-picoline
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: 2-Amino-3-bromo-4-picoline
CAS number: 40073-38-9

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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, 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: C6H7BrN2
Molecular weight: 187

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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：

  2-氨基-3-溴-4-甲基吡啶 在 氢溴酸 、 溴 、 sodium nitrite 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 3.58h， 以47%的产率得到2,3-二溴-4-甲基吡啶
  参考文献：
  名称：

  Chemokine receptor binding compounds

  摘要：

  本发明涉及趋化因子受体结合化合物、药物组合物及其用途。更具体地，本发明涉及趋化因子受体活性的调节剂，优选为CCR5的调节剂。这些化合物表现出对人类免疫缺陷病毒（HIV）感染靶细胞的保护效果。

  公开号：

  US20050277668A1
• 作为产物：
  描述：

  2-氨基-3,5-二溴-4-甲基吡啶 在 正丁基锂 、 sodium hydroxide 、 水 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 反应 1.0h， 以71%的产率得到2-氨基-3-溴-4-甲基吡啶
  参考文献：
  名称：

  Chemokine receptor binding compounds

  摘要：

  本发明涉及趋化因子受体结合化合物、药物组合物及其用途。更具体地，本发明涉及趋化因子受体活性的调节剂，优选为CCR5的调节剂。这些化合物表现出对人类免疫缺陷病毒（HIV）感染靶细胞的保护效果。

  公开号：

  US20050277668A1

文献信息

• [EN] PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS<br/>[FR] DÉRIVÉS DE PIPÉRIDINE POUVANT ÊTRE UTILISÉS EN TANT QU'AGONISTES DE L'OREXINE
  申请人：GLAXO GROUP LTD

  公开号：WO2010072722A1

  公开（公告）日：2010-07-01

  This invention relates to imidazopyridylmethylene substituted piperidine derivatives orexin antagonists and their use as pharmaceuticals.

  这项发明涉及咪唑吡啶甲基取代哌啶衍生物促睡素拮抗剂及其作为药物的用途。
• FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20180111942A1

  公开（公告）日：2018-04-26

  Provided herein are compounds of Formula (I), and pharmaceutically acceptable salts, N-oxides, or solvates thereof, Also provided herein are pharmaceutical compositions comprising compounds of Formula (I) and methods of using compounds of Formula (I).

  提供的是公式(I)的化合物，以及药学上可接受的盐、N-氧化物或溶剂化物， 还提供包含公式(I)化合物的药物组合物以及使用公式(I)化合物的方法。
• Synthesis of Kappa Opioid Antagonists Based On Pyrrolo[1,2-α]quinoxalinones Using an <i>N</i>-Arylation/Condensation/Oxidation Reaction Sequence
  作者：Sarah M. Scarry、Kimberly M. Lovell、Kevin J. Frankowski、Laura M. Bohn、Jeffrey Aubé

  DOI：10.1021/acs.joc.6b01350

  日期：2016.11.4

  family of nitrogen heterocycles is present in molecules of therapeutic relevance for diverse applications ranging from infectious diseases to neuroscience targets. Here, we describe a general synthetic sequence to afford pyrrolo[1,2-α]quinoxalinones from commercially available starting materials and their use in preparing potential kappa opioid receptor antagonists. The biological data obtained from the

  氮杂环基喹喔啉和喹喔啉酮家族存在于与治疗相关的分子中，可用于从传染病到神经科学靶标的多种应用。在这里，我们描述了一种一般的合成序列，可从商业上可获得的起始原料中得到吡咯并[1,2-α]喹喔啉酮及其在制备潜在的κ阿片受体拮抗剂中的用途。简要介绍和讨论了从后一组化合物获得的生物学数据。
• [EN] AZAINDOLES AND METHODS OF USE THEREOF<br/>[FR] AZAINDOLES ET LEURS MÉTHODES D'UTILISATION
  申请人：GOLDFINCH BIO INC

  公开号：WO2019028309A1

  公开（公告）日：2019-02-07

  Disclosed are compounds according to Formula (I) or (II), and pharmaceutical compositions comprising them. Also disclosed are therapeutic methods, e.g., of treating kidney diseases, using the compounds of Formula (I) or (II). (Formulae (I, (II))

  根据公式（I）或（II）披露了化合物，以及包含它们的药物组合物。还披露了治疗方法，例如使用公式（I）或（II）的化合物治疗肾脏疾病。
• Design, Synthesis, and Evaluation of (4<i>R</i>)-1-{3-[2-(¹⁸F)Fluoro-4-methylpyridin-3-yl]phenyl}-4-[4-(1,3-thiazol-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one ([¹⁸F]<b>T-401</b>) as a Novel Positron-Emission Tomography Imaging Agent for Monoacylglycerol Lipase
  作者：Yasushi Hattori、Kazunobu Aoyama、Jun Maeda、Naoto Arimura、Yasuko Takahashi、Masako Sasaki、Masayuki Fujinaga、Chie Seki、Yuji Nagai、Kazunori Kawamura、Tomoteru Yamasaki、Ming-Rong Zhang、Makoto Higuchi、Tatsuki Koike

  DOI：10.1021/acs.jmedchem.8b01576

  日期：2019.3.14

  high uptake to regions enriched with MAGL. PET imaging of wild-type and MAGL-deficient mice as well as a macaque monkey indicated that [18F]5 ((4 R)-1-3-[2-(18F)fluoro-4-methylpyridin-3-yl]phenyl}-4-[4-(1,3-thiazol-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one, [18F]T-401) specifically binds to MAGL with adequate reversibility, yielding a high contrast for MAGL within an appropriate imaging time.

  单酰基甘油脂肪酶（MAGL）是一种参与内源性大麻素和炎症信号的胞浆丝氨酸水解酶。MAGL的正电子发射断层扫描（PET）成像可用于验证治疗性MAGL抑制剂的靶向作用以及研究正常和疾病条件下的MAGL水平。但是，迄今尚无可用于MAGL定量评估的具有可逆的MAGL结合动力学的PET放射性配体。在这项研究中，我们设计和合成了含氟的PET探针，该探针从最近鉴定出的可与MAGL可逆结合的哌嗪基吡咯烷-2-一衍生物开始。通过调整分子的亲脂性以优化非特异性结合和血脑屏障通透性，我们成功地鉴定出两种化合物对富含MAGL的区域具有高吸收性。