2-氯-6-环己基氨基吡嗪 | 642459-26-5

• 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 - 二嗪类
• 中文名称: 2-氯-6-环己基氨基吡嗪
• 中文别名: (6-氯吡嗪-2)-环己胺；2-氯-6-环己胺基吡嗪
• 英文名称: (6-chloro-pyrazin-2-yl)-cyclohexyl-amine
• 英文别名: 6-chloro-N-cyclohexylpyrazin-2-amine
• CAS: 642459-26-5
• 化学式: C₁₀H₁₄ClN₃
• mdl: MFCD09800981
• 分子量: 211.694
• InChiKey: OSOXULWILQPIFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933990090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Chloro-6-cyclohexylaminopyrazine
Synonyms: 6-Chloro-N-cyclohexylpyrazin-2-amine; (6-chloropyrazin-2-yl)cyclohexylamine

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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-Chloro-6-cyclohexylaminopyrazine
CAS number: 642459-26-5

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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: C10H14ClN3
Molecular weight: 211.7

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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：

  2-氯-6-环己基氨基吡嗪 在 哌啶 、 bis-triphenylphosphine-palladium(II) chloride 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 乙醇 、 水 为溶剂， 反应 0.33h， 生成 (Z)-3-((1H-imidazol-5-yl)methylene)-5-(6-(cyclohexylamino)pyrazin-2-yl)indolin-2-one
  参考文献：
  名称：

  [EN] NOVEL INHIBITOR FOR MULTIPLE PROTEIN KINASES
  [FR] NOUVEL INHIBITEUR POUR DE MULTIPLES PROTÉINES KINASES
  [KO] 신규한 다중 단백질 키나아제 억제제

  摘要：

  본 발명은 신규한 다중 단백질 인산화효소 억제제에 관한 것으로, 우수한 항염증 활성을 나타내는 인돌린-2-온 신규 화합물 또는 이의 약학적으로 허용가능한 염 및 이를 유효성분으로 함유하는 염증성 질환 치료 조성물을 제공한다. 상기 신규 화합물은 염증과 관련된 다양한 단백질 키나아제의 활성을 강력하게 억제하는 바, 다중 단백질 키나아제 억제제로 활용할 수 있으며, 다른 항염증제들과 비교하여 보다 우수한 항염증 효과를 가지는 바, 이를 염증성 질환의 치료제 개발에 활용할 수 있다.

  公开号：

  WO2023017937A1
• 作为产物：
  描述：

  2,6-二氯吡嗪 、 环己胺 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-氯-6-环己基氨基吡嗪
  参考文献：
  名称：

  2-Thiooxothiazolidin-4-one 类似物作为 Pan-PIM 激酶抑制剂

  摘要：

  莫洛尼鼠白血病病毒 (PIM) 激酶的原病毒整合位点是参与调节多种细胞过程的原癌激酶。PIM 激酶是新药开发的有希望的靶点，因为它们在许多癌症特异性途径中发挥重要作用，例如存活、细胞凋亡、增殖、细胞周期调节和迁移。在这里，2-thioxothiazolidin-4-one 衍生物被合成并评估为有效的泛 PIM 激酶抑制剂。优化的化合物对所有三种 PIM 激酶均显示出个位数纳摩尔 IC 50值，并且选择性高于其他 14 种激酶。化合物17抑制 Molm-16 细胞系 (EC 50  = 14 nM) 的生长并以剂量依赖性方式调节 pBAD 和 p4EBP1 的表达。 全尺寸图像

  DOI：

  10.1248/cpb.c21-00264

文献信息

• [EN] PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH<br/>[FR] COMPOSÉS DE PYRAZOLE PYRAMINE AMINE EN TANT QU'INHIBITEURS DE KINASE, COMPOSITIONS LES CONTENANT ET PROCÉDÉ DE TRAITEMENT LES EMPLOYANT
  申请人：SIGNAL PHARM LLC

  公开号：WO2009089042A1

  公开（公告）日：2009-07-16

  Provided herein are Pyrazole Pyrazine Amine Compounds having the following structure:Formula (I). Wherein Q and R1-R3 are as defined herein, compositions comprising an effective amount of a Pyrazole Pyrazine Amine Compound and methods for treating or preventing inflammatory conditions, immunological conditions, cancer, neurodegenerative diseases, age-related diseases, cardiovascular diseases and metabolic conditions, or conditions treatable or preventable by inhibition of an IKK, or an IKK pathway, comprising administering an effective amount of a Pyrazole Pyrazine Amine Compound to a patient in need thereof.

  本文提供了具有以下结构的吡唑吡嗪胺化合物：Formula (I)。其中Q和R1-R3如本文所定义，包括有效量的吡唑吡嗪胺化合物的组合物，以及用于治疗或预防炎症症状、免疫症状、癌症、神经退行性疾病、与年龄相关的疾病、心血管疾病和代谢症状，或通过抑制IKK或IKK途径可治疗或预防的疾病，包括向需要的患者施用有效量的吡唑吡嗪胺化合物的方法。
• [EN] PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS<br/>[FR] DÉRIVÉS DE PYRAZINE ET LEUR UTILISATION EN TANT QUE MODULATEURS DES CANAUX POTASSIQUES
  申请人：NEUROSEARCH AS

  公开号：WO2009037247A1

  公开（公告）日：2009-03-26

  This invention relates to novel pyrazine derivatives and their use as potassium channel modulating agents. Moreover the invention is directed to pharmaceutical compositions useful for the treatment or alleviation of diseases or disorders associated with the activity of potassium channels.

  这项发明涉及新型吡嗪衍生物及其作为钾通道调节剂的用途。此外，该发明涉及用于治疗或缓解与钾通道活性相关的疾病或疾病的药物组合物。
• PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH
  申请人：Sloss Marianne

  公开号：US20090270418A1

  公开（公告）日：2009-10-29

  Provided herein are Pyrazole Pyrazine Amine Compounds having the following structure: Wherein Q and R 1 -R 3 are as defined herein, compositions comprising an effective amount of a Pyrazole Pyrazine Amine Compound and methods for treating or preventing inflammatory conditions, immunological conditions, cancer, neurodegenerative diseases, age-related diseases, cardiovascular diseases and metabolic conditions, or conditions treatable or preventable by inhibition of an IKK, or an IKK pathway, comprising administering an effective amount of a Pyrazole Pyrazine Amine Compound to a patient in need thereof.

  本文提供具有以下结构的吡唑吡嗪胺化合物：其中Q和R1-R3如本文所定义，包括有效量的吡唑吡嗪胺化合物的组合物以及用于治疗或预防炎症性疾病、免疫疾病、癌症、神经退行性疾病、与年龄相关的疾病、心血管疾病和代谢疾病，或通过抑制IKK或IKK途径可治疗或预防的疾病的方法，包括向需要治疗的患者投与有效量的吡唑吡嗪胺化合物。
• Pyrazine derivatives and their use as potassium channel modulators
  申请人：Eriksen Birgitte L.

  公开号：US08415358B2

  公开（公告）日：2013-04-09

  Pyrazine compounds of the formula as well as stereoisomers thereof, N-oxides thereof, prodrugs thereof, and pharmaceutically acceptable salts thereof, wherein the variables in the formula are as defined in the specification. The compounds are useful as potassium channel modulating agents. Also, pharmaceutical compositions useful for the treatment or alleviation of diseases or disorders associated with the activity of potassium channels, and methods of using the pharmaceutical compositions.

  本发明涉及一种式子如下的吡嗪化合物及其立体异构体、N-氧化物、前药和药学上可接受的盐，其中公式中的变量如规范中所定义。该化合物可用作钾通道调节剂。此外，本发明还涉及药物组合物，可用于治疗或缓解与钾通道活性相关的疾病或障碍，并提供使用药物组合物的方法。
• PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS
  申请人：Eriksen Birgitte L.

  公开号：US20100286161A1

  公开（公告）日：2010-11-11

  This invention relates to novel pyrazine derivatives and their use as potassium channel modulating agents. Moreover the invention is directed to pharmaceutical compositions useful for the treatment or alleviation of diseases or disorders associated with the activity of potassium channels.

  本发明涉及新型吡嗪衍生物及其作为钾通道调节剂的应用。此外，本发明还涉及制备用于治疗或缓解与钾通道活性相关的疾病或障碍的药物组合物。