2-氯-6-(1-吡咯烷)吡嗪 | 1000339-30-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-氯-6-(1-吡咯烷)吡嗪
• 中文别名: 2-氯-6-四氢吡咯-1-基-吡嗪
• 英文名称: 2-chloro-6-pyrrolidin-1-ylpyrazine
• 英文别名: 2-Chloro-6-(pyrrolidin-1-yl)pyrazine
• CAS: 1000339-30-9
• 化学式: C₈H₁₀ClN₃
• mdl: MFCD09864953
• 分子量: 183.64
• InChiKey: JWMYNAAPKTUCSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29
• 氢给体数：
  0
• 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-(pyrrolidin-1-yl)pyrazine
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-Chloro-6-(pyrrolidin-1-yl)pyrazine
CAS number: 1000339-30-9

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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: C8H10ClN3
Molecular weight: 183.6

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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：

  2-氯-6-(1-吡咯烷)吡嗪 、 4(5)-腈甲基咪唑 在 2-二叔丁基膦-3,4,5,6-四甲基-2′,4′,6′-三异丙基-1,1′-联苯 、 potassium phosphate 、 tris-(dibenzylideneacetone)dipalladium(0) 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 5.0h， 以92%的产率得到2-(1-(6-(pyrrolidin-1-yl)pyrazin-2-yl)-1H-imidazol-4-yl)acetonitrile
  参考文献：
  名称：

  完全N1选择性钯催化不对称咪唑芳基化：在尼洛替尼合成中的应用

  摘要：

  描述了不对称咪唑与芳基卤化物和三氟甲磺酸酯的完全 N(1)-选择性 Pd 催化芳基化。这项研究表明，咪唑对催化活性Pd(0)-配体配合物的原位形成具有很强的抑制作用。通过使用 Pd(2)(dba)(3) 和 L1 的预活化溶液，N-芳基化反应的效率得到了显着提高。从这些发现可以清楚地看出，虽然咪唑可以阻止 L1 与 Pd 的结合，但一旦配体与金属结合，这些杂环就不会取代它。本催化系统的实用性通过临床上重要的酪氨酸激酶抑制剂尼罗替尼的区域选择性合成得到证明。

  DOI：

  10.1021/ja2102373
• 作为产物：
  描述：

  四氢吡咯 、 2,6-二氯吡嗪 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-氯-6-(1-吡咯烷)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

• INHIBITORS OF FLAVIVIRIDAE VIRUSES
  申请人：Canales Eda

  公开号：US20110020278A1

  公开（公告）日：2011-01-27

  Provided are compounds of Formula I: and pharmaceutically acceptable salts and esters thereof. The compounds, compositions, and methods provided are useful for the treatment of Flaviviridae virus infections, particularly hepatitis C infections.

  提供的是I式化合物： 及其药用可接受的盐和酯。所提供的化合物、组合物和方法对于治疗黄病毒科病毒感染，特别是丙型肝炎感染，是有用的。
• Efficient synthesis of pyrazine boronic esters via palladium-catalyzed Miyaura borylation
  作者：Hongtao Lu、Shengqiang Wang、Jingya Li、Dapeng Zou、Yusheng Wu、Yangjie Wu

  DOI：10.1016/j.tetlet.2017.01.043

  日期：2017.3

  A facile and efficient protocol for palladium-catalyzed Miyaura borylation reaction of chloropyrazines with B2pin2 has been developed. A certain range of difficult-to-access pyrazine boronic esters can be easily prepared from the corresponding chloropyrazines in moderate to good yields.

  已经开发了一种简便有效的方案，用于钯与B 2 pin 2的氯吡嗪的Miyaura硼酸酯化反应。从相应的氯吡嗪以中等到良好的产率可以容易地制备一定范围的难以获得的吡嗪硼酸酯。
• NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION
  申请人：BUCKMAN Brad

  公开号：US20120101032A1

  公开（公告）日：2012-04-26

  The embodiments provide compounds of the general Formulae I, Ia, II, IIa, III, IIIa, IV, IVa, V, Va, VI and VIa, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating a hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.

  本实施例提供了一般式I、Ia、II、IIa、III、IIIa、IV、IVa、V、Va、VI和VIa的化合物，以及包括药物组成物在内的组合物，其中包括一种主体化合物。本实施例还提供了治疗方法，包括治疗丙型肝炎病毒感染和治疗肝纤维化的方法，该方法通常涉及向需要治疗的个体施用一种主体化合物或组合物的有效量。
• BIARYL DERIVATIVE AS GPR120 AGONIST
  申请人：LG Chem, Ltd.

  公开号：EP3239143A2

  公开（公告）日：2017-11-01

  The present invention relates to a biaryl derivative expressed by the chemical formula 1, a method for producing the biaryl derivative, a pharmaceutical composition comprising same, and use of same, the biaryl derivative expressed by the chemical formula 1, as a GPR120 agonist, promoting GLP-1 generation in the gastro-intestinal tract, reducing insulin resistance in the liver, muscles and the like from anti-inflammatory activity in the macrophage, pancreatic cells and the like, and allowing effective use in prevention or treatment of inflammation or metabolic diseases such as diabetes, complications from diabetes, obesity, non-alcoholic fatty liver disease, fatty liver disease, and osteoporosis.

  本发明涉及一种由化学式1表示的生物芳基衍生物、生产该生物芳基衍生物的方法、包含该生物芳基衍生物的药物组合物以及该生物芳基衍生物的用途，由化学式1表示的生物芳基衍生物作为GPR120激动剂，促进胃肠道中GLP-1的生成、从巨噬细胞、胰腺细胞等的抗炎活性中降低肝脏、肌肉等的胰岛素抵抗，并可有效用于预防或治疗炎症或代谢性疾病，如糖尿病、糖尿病并发症、肥胖症、非酒精性脂肪肝、脂肪肝和骨质疏松症。
• AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY COMPOUNDS
  申请人：Respivert Limited

  公开号：EP3418279A1

  公开（公告）日：2018-12-26

  There are provided compounds of formula (I) as defined in the specification which are p38 MAP kinase inhibitors for use as medicaments for the treatment inter alia of inflammatory diseases.

  本说明书中定义的式 (I) 化合物是 p38 MAP 激酶抑制剂，可用作治疗炎症等疾病的药物。