2-溴-3-甲基吡嗪 | 120984-76-1

• 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-溴-3-甲基吡嗪
• 中文别名: 2-甲基-3-溴吡嗪
• 英文名称: 2-bromo-3-methylpyrazine
• CAS: 120984-76-1
• 化学式: C₅H₅BrN₂
• mdl: MFCD08705769
• 分子量: 173.012
• InChiKey: NDBBGCAETKIKIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

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：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Bromo-3-methylpyrazine
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-Bromo-3-methylpyrazine
CAS number: 120984-76-1

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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, 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: C5H5BrN2
Molecular weight: 173.0

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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-溴-3-甲基吡嗪 在 tris-(dibenzylideneacetone)dipalladium(0) 、 溴 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 三氟乙酸 、 sodium t-butanolate 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 32.0h， 生成 5-bromo-3-methyl-N-(pyrrolidin-3-yl)pyrazin-2-amine
  参考文献：
  名称：

  [EN] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS
  [FR] COMPOSÉS INDOLIQUES UTILES EN TANT QUE MODULATEURS DU RÉCEPTEUR DES ANDROGÈNES

  摘要：

  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。

  公开号：

  WO2022020342A1
• 作为产物：
  描述：

  2-羟基-3-甲基吡嗪 在 三溴氧磷 作用下， 生成 2-溴-3-甲基吡嗪
  参考文献：
  名称：

  2-Bromopyrazines, 2-Cyanopyrazines and their Derivatives

  摘要：

  DOI：

  10.1021/ja01591a029

文献信息

• Substituted N-(3-hydroxy-4-piperidinyl)benzamides as gastrointestinal
  申请人：Janssen Pharmaceutica N.V.

  公开号：US04906643A1

  公开（公告）日：1990-03-06

  N-(3-hydroxy-4-piperidinyl)substituted benzamides, their N-oxide forms and pharmaceutically acceptable acid-addition salts having gastrointestinal motility stimulating properties, compositions containing the same, and methods of treating warm blooded animals suffering from a decreased peristalsis of the gastrointestinal system.

  N-(3-羟基-4-哌啶基)取代苯甲酰胺，其N-氧化物形式和具有胃肠动力促进作用的药用可接受的酸盐，含有这些化合物的组合物，以及治疗患有胃肠系统蠕动减弱的温血动物的方法。
• [EN] MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS<br/>[FR] DÉRIVÉS D'AZOLOPYRIDINE MACROCYCLIQUES UTILISÉS EN TANT QUE MODULATEURS EED ET PRC2
  申请人：FULCRUM THERAPEUTICS INC

  公开号：WO2020190754A1

  公开（公告）日：2020-09-24

  The invention relates to modulators of Embryonic Ectoderm Development (EED) and/or Polycomb Repressive Complex 2 (PRC2) useful in the treatment of disorders and diseases associated with EEC and PRC2, being macrocyclic azolopyridine derivatives and compositions thereof of Formula (I), or a pharmaceutically acceptable salt, prodrug, solvate, hydrate, enantiomer, isomer, or tautomer thereof, wherein X1, X2, X3, A1, A2, Y, R1, R2, R3, and R4 are as described herein.

  本发明涉及用于治疗与Embryonic Ectoderm Development (EED)和/或Polycomb Repressive Complex 2 (PRC2)相关的疾病和障碍的调节剂，是式(I)所示的宏环唑啉衍生物及其组合物，或其药用可接受的盐、前药、溶剂化物、水合物、对映体、异构体或互变异构体，其中X1、X2、X3、A1、A2、Y、R1、R2、R3和R4如本文所述。
• [EN] HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS<br/>[FR] COMPOSÉS HÉTÉROAROMATIQUES ET LEUR UTILISATION COMME LIGANDS DE LA DOPAMINE D1
  申请人：PFIZER

  公开号：WO2014072881A1

  公开（公告）日：2014-05-15

  The present invention provides, in part, compounds of Formula I: and pharmaceutically acceptable salts thereof and N-oxides thereof; processes and intermediates for preparation of; and compositions and uses thereof. The present invention further provides D1 agonists with reduced D1R desensitization, D1 agonists with a reduced β- arrestin recruitment activity relative to Dopamine, D1 agonists interacting significantly with the Ser188 but not significantly with the Ser202 of a D1R when binding to the D1R, D1 agonists interacting less strongly with the Asp103 and interacting less strongly with the Ser198 of a D1R when binding to the D1R, and their uses.

  本发明部分提供了化合物I的公式：及其药学上可接受的盐和N-氧化物；制备的过程和中间体；以及其组合物和用途。本发明进一步提供了具有减少D1R耐受性的D1激动剂，相对于多巴胺具有减少β-阿雷斯汀招募活性的D1激动剂，当结合到D1R时与D1R的Ser188显著相互作用但与Ser202的相互作用不显著的D1激动剂，当结合到D1R时与D1R的Asp103相互作用较弱并且与Ser198相互作用较弱的D1激动剂，以及它们的用途。
• [EN] NOVEL 12-EPI-MUTILIN COMPOUNDS, PROCESS FOR PREPARING THE SAME AND USES THEREOF<br/>[FR] NOUVEAUX COMPOSÉS DE 12-ÉPI-MUTILINE, LEUR PROCÉDÉ DE PRÉPARATION ET LEURS UTILISATIONS
  申请人：NABRIVA THERAPEUTICS GMBH

  公开号：WO2021219399A1

  公开（公告）日：2021-11-04

  A compound of formula I (I), wherein R0 is C1 or I, preferably C1; a process for preparing said compound as well as use of said compound and a process for preparing 12-epi-mutilin derivatives.

  一种化学式I（I）的化合物，其中R0为C1或I，最好为C1；制备该化合物的方法以及使用该化合物的方法和制备12-epi-mutilin衍生物的方法。
• [EN] THERAPEUTIC USE OF PLEUROMUTILINS<br/>[FR] UTILISATION THÉRAPEUTIQUE DE PLEUROMUTILINES
  申请人：NABRIVA THERAPEUTICS GMBH

  公开号：WO2021209596A1

  公开（公告）日：2021-10-21

  A compound selected from 14-O-[((Alkyl-, cycloalkyl-, heterocycloalkyl-, heteroraryl-, or aryl)-sulfanyl)-acetyl]-12-epi-mutilins, or 14-O-[((Alkyl-, cycloalkyl-, heterocycloalkyl-, heteroaryl-, or aryl)-oxy)-acetyl]-12-epi-mutilins, wherein 12-epi-mutilin is characterized in that the mutilin ring at position 12 is substituted by two substituents, the first substituent at position 12 of the mutilin ring is a methyl group which methyl group has the inverse stereochemistry compared with the stereochemistry of the methyl group at position 12 of the naturally occurring pleuromutilin ring, the second substituent at position 12 of the mutilin ring is a hydrocarbon group comprising at least one nitrogen atom and all other substituents of the mutilin ring having the same stereochemistry compared with the stereochemistry of the substituents at the corresponding positions in the naturally occurring pleuromutilin ring; optionally in the form of a pharmaceutically acceptable salt and/or solvate, prodrug or metabolite, wherein the naturally occurring pleuromutilin is of formula (I) for the specific use in the treatment or prevention of a disease mediated by a virus. The invention further relates to 12-epi-12-desvinyl-14-O-[(Piperidin-4-ylsulfanyl]-acetyl]-12- [2-(3-methyl-pyrazin-2-yl)-ethenyl]-mutilin and its therapeutic uses.

  从14-O-[((烷基、环烷基、杂环烷基、杂环芳基或芳基)-硫代基)-乙酰基]-12-epi-木酮霉素，或14-O-[((烷基、环烷基、杂环烷基、杂环芳基或芳基)-氧基)-乙酰基]-12-epi-木酮霉素中选择的化合物，其中12-epi-木酮霉素的特征在于木酮霉素环在位置12处被两个取代基取代，木酮霉素环在位置12处的第一个取代基是一个甲基基团，该甲基基团与自然产生的普鲁木酮霉素环在位置12处的甲基基团的立体化学相反，木酮霉素环在位置12处的第二个取代基是一个含有至少一个氮原子的碳氢基团，木酮霉素环的所有其他取代基与自然产生的普鲁木酮霉素环在相应位置的取代基的立体化学相同；可选地以药学上可接受的盐和/或溶剂、前药或代谢物的形式存在，其中自然产生的普鲁木酮霉素的化学式为(I)，用于治疗或预防由病毒介导的疾病。该发明还涉及12-epi-12-去乙烯基-14-O-[(哌啶-4-基硫基]-乙酰基]-12-[2-(3-甲基吡嗪-2-基)-乙烯基]-木酮霉素及其治疗用途。