2-氨基-3-甲氧基吡嗪 | 4774-10-1

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡嗪类化合物
• 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-氨基-3-甲氧基吡嗪
• 英文名称: 2-amino-3-methoxypyrazine
• 英文别名: 2-Amino-3-methoxy-pyrazin；3-methoxypyrazin-2-amine；3-(methyloxy)-2-pyrazinamine
• CAS: 4774-10-1
• 化学式: C₅H₇N₃O
• 分子量: 125.13
• InChiKey: MTMGQKFGZHMTTK-UHFFFAOYSA-N

物化性质

• 熔点：
  84-85℃
• 沸点：
  241℃
• 密度：
  1.224
• 闪点：
  100℃

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  61
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Amino-3-methoxypyrazine
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-methoxypyrazine
CAS number: 4774-10-1

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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: C5H7N3O
Molecular weight: 125.1

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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.

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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

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  2-氨基-5-溴-3-甲氧基吡嗪	5-bromo-3-methoxypyrazin-2-amine	5900-13-0	C5H6BrN3O	204.026
  2-甲氧基吡嗪	2-methoxypyrazine	3149-28-8	C5H6N2O	110.115

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  2-氨基-5-溴-3-甲氧基吡嗪	5-bromo-3-methoxypyrazin-2-amine	5900-13-0	C5H6BrN3O	204.026

反应信息

• 作为反应物：
  描述：

  2-氨基-3-甲氧基吡嗪 在 sodium hydroxide 作用下， 以 吡啶 、 水 为溶剂， 反应 4.0h， 生成 磺胺林
  参考文献：
  名称：

  Necrosulfonamide inhibits necroptosis by selectively targeting the mixed lineage kinase domain-like protein

  摘要：

  通过对20万种化合物进行高通量筛选和随后的结构活性关系（SAR）研究，我们确定了硫酰胺（NSA）作为一种有效的小分子抑制剂，用于由TNF-a、Smac模拟剂和z-VAD-fmk（T/S/Z）组合诱导的坏死程序。

  DOI：

  10.1039/c3md00278k
• 作为产物：
  描述：

  8-methoxytetrazolo<1,5-a>pyrazine 在 水 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 137.0h， 生成 2-氨基-3-甲氧基吡嗪
  参考文献：
  名称：

  A New Route to Aminodiazines via Metalation Reaction. Synthesis of an Aza Analogue of Nevirapine: Diazines XV

  摘要：

  报道了一种合成氨基二嗪的新路线，使用了二嗪的邻位定向锂化，随后与作为电亲体的托烯基叠氮化物反应。对所获得的叠氮或四唑化合物进行了还原，得到了预期的胺。这种方法学使得新氨基二嗪的合成成为可能，并提高了之前描述的各种氨基二嗪的产率。该反应被用于制备 Nevirapine 的氮杂类似物。

  DOI：

  10.1055/s-1996-4303

文献信息

• [EN] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS<br/>[FR] COMPOSÉS INDOLIQUES UTILES EN TANT QUE MODULATEURS DU RÉCEPTEUR DES ANDROGÈNES
  申请人：NIDO BIOSCIENCES INC

  公开号：WO2022020342A1

  公开（公告）日：2022-01-27

  Provided herein are compounds of formula (V) that bind to BF3 of an androgen receptor (AR), which can modulate the AR for the treatment of Kennedy's disease.

  本文提供了一种公式（V）的化合物，它们与雄激素受体（AR）的BF3结合，可以调节AR以治疗肯尼迪病。
• PEPTIDE DEFORMYLASE INHIBITORS
  申请人：Aubart Kelly M.

  公开号：US20130345120A1

  公开（公告）日：2013-12-26

  The present invention relates to a compound of Formula (I): or a pharmaceutically acceptable salt thereof, corresponding pharmaceutical compositions, compound preparation and treatment methods directed to bacterial infections and inhibition of bacterial peptide deformylase (PDF) activity.

  本发明涉及一种化合物，其化学式为（I）：或其药学上可接受的盐，相应的制药组合物，化合物制备和治疗方法，用于治疗细菌感染和抑制细菌肽变形酶（PDF）活性。
• Peptide deformylase inhibitors
  申请人：Aubart Kelly M.

  公开号：US08901119B2

  公开（公告）日：2014-12-02

  The present invention relates to a compound of Formula (I): or a pharmaceutically acceptable salt thereof, corresponding pharmaceutical compositions, compound preparation and treatment methods directed to bacterial infections and inhibition of bacterial peptide deformylase (PDF) activity.

  本发明涉及一种化合物，其化学式为（I）：或其药用可接受的盐，相应的药物组合物，化合物制备和治疗方法，用于治疗细菌感染和抑制细菌肽变形酶（PDF）活性。
• Discovery of AZD-2098 and AZD-1678, Two Potent and Bioavailable CCR4 Receptor Antagonists
  作者：Nicholas Kindon、Glen Andrews、Andrew Baxter、David Cheshire、Paul Hemsley、Timothy Johnson、Yu-Zhen Liu、Dermot McGinnity、Mark McHale、Antonio Mete、James Reuberson、Bryan Roberts、John Steele、Barry Teobald、John Unitt、Deborah Vaughan、Iain Walters、Michael J. Stocks

  DOI：10.1021/acsmedchemlett.7b00315

  日期：2017.9.14

  identified as a hit in a CCR4 receptor antagonist high-throughput screen (HTS) of a subset of the AstraZeneca compound bank. As a hit with a lead-like profile, it was an excellent starting point for a CCR4 receptor antagonist program and enabled the rapid progression through the Lead Identification and Lead Optimization phases resulting in the discovery of two bioavailable CCR4 receptor antagonist candidate

  在阿斯利康化合物库的一个子集的CCR4受体拮抗剂高通量筛选（HTS）中，N-（5-溴-3-甲氧基吡嗪-2-基）-5-氯噻吩-2-磺酰胺1被鉴定为命中。作为具有铅样特征的命中分子，它是CCR4受体拮抗剂计划的绝佳起点，并且能够通过“铅鉴定”和“铅优化”阶段快速发展，从而导致发现了两种可生物利用的CCR4受体拮抗剂候选药物。
• [EN] SULPTIONAMIDE COMPOUNDS THAT MODULATE CHEMOKINE RECEPTOR ACTIVITY (CCR4)<br/>[FR] COMPOSES DE SULPHONAMIDE QUI MODULENT L'ACTIVITE DES RECEPTEURS DE CHIMIOKINE (CCR4)
  申请人：ASTRAZENECA AB

  公开号：WO2004108717A1

  公开（公告）日：2004-12-16

  The invention provides thienylsulphonamides for use in therapy.

  这项发明提供了用于治疗的噻吩磺胺类化合物。