2-溴咪唑并[1,2-a]吡啶-6-羧酸甲酯 | 1042141-37-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 中文名称: 2-溴咪唑并[1,2-a]吡啶-6-羧酸甲酯
• 中文别名: 2-溴咪唑并[1,2-A]吡啶-6-羧酸甲酯
• 英文名称: methyl 2-bromoimidazo[1,2-a]pyridine-6-carboxylate
• CAS: 1042141-37-6
• 化学式: C₉H₇BrN₂O₂
• 分子量: 255.071
• InChiKey: QIPNKRNFZTZQBD-UHFFFAOYSA-N

物化性质

• 密度：
  1.68±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Methyl 2-bromoimidazo[1,2-a]pyridine-6-carboxylate
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: Methyl 2-bromoimidazo[1,2-a]pyridine-6-carboxylate
CAS number: 1042141-37-6

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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: C9H7BrN2O2
Molecular weight: 255.1

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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, 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-溴咪唑并[1,2-a]吡啶-6-羧酸甲酯 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 1-[bis(dimethylamino)-methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxid hexafluorophosphate 、 sodium carbonate 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors

  摘要：

  DOI：

  10.1016/j.bmcl.2021.128113
• 作为产物：
  描述：

  methyl 8-oxo-1,7-diazabicyclo[4.3.0]nona-2,4,6-triene-3-carboxylate hydrogenbromide 、 methyl 1-(2-ethoxy-2-oxoethyl)-6-imino-1,6-dihydropyridine-3-carboxylate hydrobromide 在 三溴氧磷 、 碳酸氢钠 作用下， 以 1,2-二氯乙烷 、 水 为溶剂， 反应 18.0h， 生成 2-溴咪唑并[1,2-a]吡啶-6-羧酸甲酯
  参考文献：
  名称：

  WO2008/91195

  摘要：

  公开号：

文献信息

• [EN] PD-1/PD-L1 INHIBITORS<br/>[FR] INHIBITEURS PD-1/PD-L1
  申请人：GILEAD SCIENCES INC

  公开号：WO2018195321A1

  公开（公告）日：2018-10-25

  Compounds according to formula (I), methods of using said compounds singly or in combination with additional agents and compositions of said compounds for the treatment of cancer are disclosed.

  根据公式（I）制备的化合物，以及使用这些化合物单独或与其他药剂结合的方法，以及用于治疗癌症的这些化合物的组合物被披露。
• [EN] HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES UTILISÉS COMME IMMUNOMODULATEURS
  申请人：INCYTE CORP

  公开号：WO2017070089A1

  公开（公告）日：2017-04-27

  Disclosed are compounds of Formula (I'), methods of using the compounds to modulate PD-1/PD-L1 interaction, and pharmaceutical compositions comprising such compounds. The compounds are useful in treating, preventing or ameliorating diseases or disorders such as cancer or viral infections.

  揭示了式(I')的化合物，使用这些化合物调节PD-1/PD-L1相互作用的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或改善癌症或病毒感染等疾病或疾病方面是有用的。
• Novel Heteroaryl Substituted Imidazo [1,2-A] Pyridine Derivatives
  申请人：Vallin Michaela

  公开号：US20100092385A1

  公开（公告）日：2010-04-15

  The present invention relates to novel heteroaryl substituted imidazopyridine derivatives, precursors thereof, and therapeutic uses of such compounds, having the structural formula (Ia) and to their pharmaceutically acceptable salt, compositions and methods of use. Furthermore, the invention relates to novel heteroaryl substituted imidazopyridine derivatives that are suitable for imaging amyloid deposits in living patients, their compositions, methods of use and processes to make such compounds. More specifically, the present invention relates to a method of imaging amyloid deposits in brain in vivo to allow antemortem diagnosis of Alzheimer's disease as well as measuring clinical efficacy of Alzheimer's disease therapeutic agents.

  本发明涉及新型杂环芳基取代咪唑吡啶衍生物、其前体物以及这些化合物的治疗用途，具有结构式(Ia)，以及它们的药物可接受的盐、组成物和使用方法。此外，本发明还涉及新型杂环芳基取代咪唑吡啶衍生物，适用于在活体患者中成像淀粉样沉积物，它们的组成物、使用方法以及制备这些化合物的过程。更具体地说，本发明涉及在体成像脑中的淀粉样沉积物，以便进行阿尔茨海默病的临床前诊断，以及测量阿尔茨海默病治疗剂的临床疗效的方法。
• [EN] DEUBIQUITINASE-TARGETING CHIMERAS AND RELATED METHODS<br/>[FR] CHIMÈRES CIBLANT LA DÉSUBIQUITINASE ET PROCÉDÉS ASSOCIÉS
  申请人：NOVARTIS AG

  公开号：WO2022232634A1

  公开（公告）日：2022-11-03

  Described herein are bifunctional compounds, as well as pharmaceutically acceptable salts, hydrates, solvates, prodrugs, stereoisomers, or tautomers thereof, that function to recruit certain deubiquitinases to a target protein for modulation (e.g., stabilization) of the target protein, as well as methods of use thereof.

  本文描述了一些双功能化合物，以及其药学上可接受的盐，水合物，溶剂化合物，前药，立体异构体或互变异构体，这些化合物可以用于招募某些去泛素化酶到目标蛋白质上进行调节（例如稳定）目标蛋白质，以及使用方法。
• [EN] CBL-B MODULATORS AND USES THEREOF<br/>[FR] MODULATEURS DE CBL-B ET LEURS UTILISATIONS
  申请人：NIMBUS CLIO INC

  公开号：WO2022272248A1

  公开（公告）日：2022-12-29

  The invention provides compounds, compositions thereof, and methods of using the same for the inhibition of Cb1-b, and the treatment of a variety of Cb1-b-mediated diseases, disorders or conditions, associated with modulating the immune system implicating Cb1-b. Compounds are also useful for the study of Cb1-b enzymes in biological and pathological phenomena; the study of ubiquitination occurring in bodily tissues; and the comparative evaluation of new Cb1-b inhibitors or other regulators of cell cycle, DNA repair, differentiation, and innate and adaptive immunity in vitro or in vivo.

  本发明提供了用于抑制 Cb1-b 和治疗各种 Cb1-b 介导的疾病、失调或病症的化合物、其组合物和使用方法，这些疾病、失调或病症与调节涉及 Cb1-b 的免疫系统有关。化合物还可用于研究生物和病理现象中的 Cb1-b 酶；研究身体组织中发生的泛素化；以及比较评估体外或体内新的 Cb1-b 抑制剂或细胞周期、DNA 修复、分化以及先天性和适应性免疫的其他调节剂。