3-溴咪唑并[1,2-a]吡啶-6-甲酸 | 886362-00-1

• 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: 3-溴咪唑并[1,2-a]吡啶-6-甲酸
• 中文别名: 3-溴咪唑并[1,2-a]吡啶-6-羧酸；3-溴咪唑并[1,2-α]吡啶-6-甲酸；3-溴咪唑[1,2-A]吡啶-6-甲酸
• 英文名称: 3-bromoimidazo[1,2-a]pyridine-6-carboxylic acid
• CAS: 886362-00-1
• 化学式: C₈H₅BrN₂O₂
• 分子量: 241.044
• InChiKey: VLYJTINXFYEGOO-UHFFFAOYSA-N

物化性质

• 熔点：
  305-308°

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

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: 3-Bromoimidazo[1,2-a]pyridine-6-carboxylic acid
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: 3-Bromoimidazo[1,2-a]pyridine-6-carboxylic acid
CAS number: 886362-00-1

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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: C8H5BrN2O2
Molecular weight: 241.0

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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：

  3-溴咪唑并[1,2-a]吡啶-6-甲酸 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 2-甲基四氢呋喃 为溶剂， 生成 3-bromoimidazo[1,2-a]pyridine-6-carbonyl chloride
  参考文献：
  名称：

  [EN] IMIDAZO[1,2-A]PYRIDINE DERIVATIVES
  [FR] DÉRIVÉS D'IMIDAZO[1,2-A]PYRIDINE

  摘要：

  The current invention relates to compounds of the formula (I) wherein the substituents are as defined in claim 1, to processes and methods for preparing compounds of formula (I), to agrochemical compositions comprising compounds of formula (I) as defined in claim 1, to preparation of these compositions and to the use of the compounds or compositions in agriculture or horticulture for combating, preventing or controlling infestation of plants, harvested food crops, seeds or non-living materials by phytopathogenic microorganisms, in particular fungi.

  公开号：

  WO2023061838A1
• 作为产物：
  描述：

  咪唑并[1,2-a]吡啶-6-甲酸甲酯 在 N-溴代丁二酰亚胺(NBS) 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 14.0h， 生成 3-溴咪唑并[1,2-a]吡啶-6-甲酸
  参考文献：
  名称：

  Lead Optimization of Imidazopyrazines: A New Class of Antimalarial with Activity onPlasmodiumLiver Stages

  摘要：

  Imidazopyridine 1 was identified from a phenotypic screen against P. falciparum (Pf) blood stages and subsequently optimized for activity on liver-stage schizonts of the rodent parasite P. yoelii (Py) as well as hypnozoites of the simian parasite P. cynomolgi (Pc). We applied these various assays to the cell-based lead optimization of the imidazopyrazines, exemplified by 3 (KAI407), and show that optimized compounds within the series with improved pharmacokinetic properties achieve causal prophylactic activity in vivo and may have the potential to target the dormant stages of P. vivax malaria.

  DOI：

  10.1021/ml500244m

文献信息

• HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20180072717A1

  公开（公告）日：2018-03-15

  The present invention relates to compounds of formula (I): or pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , X, Y, and HET are as defined herein. The invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes

  本发明涉及以下式（I）的化合物： 或其药学上可接受的盐，其中R 1 ，R 2 ，X，Y和HET如本文所定义。该发明还涉及包含这些化合物的药物组合物，使用这些化合物治疗各种疾病和紊乱的方法，制备这些化合物的过程以及在这些过程中有用的中间体。
• Substituted benzamides as RIPK2 inhibitors
  申请人：Boehringer Ingelheim International GmbH

  公开号：US10138241B2

  公开（公告）日：2018-11-27

  The present invention relates to compounds of formula (I): or pharmaceutically acceptable salts thereof, wherein R1, R2, X, Y, and HET are as defined herein. The invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  本发明涉及式（I）化合物： 或其药学上可接受的盐，其中 R1、R2、X、Y 和 HET 如本文所定义。本发明还涉及包含这些化合物的药物组合物、使用这些化合物治疗各种疾病和失调的方法、制备这些化合物的工艺以及在这些工艺中有用的中间体。
• [EN] HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2<br/>[FR] COMPOSÉS D'HÉTÉROARYLE CARBOXAMIDE EN TANT QU'INHIBITEURS DE RIPK2
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2018052772A1

  公开（公告）日：2018-03-22

  The present invention relates to compounds of formula (I): or pharmaceutically acceptable salts thereof, wherein R1, R2, X, Y, and HET are as defined herein. The invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes
• IMIDAZO[1,2-A]PYRIDINE DERIVATIVES
  申请人：[en]SYNGENTA CROP PROTECTION AG

  公开号：WO2024126404A1

  公开（公告）日：2024-06-20

  The current invention relates to compounds of the formula (I), wherein the substituents are as defined in claim 1, to processes and methods for preparing compounds of formula (I), to agrochemical compositions comprising compounds of formula (I) as defined in claim 1, to preparation of these compositions and to the use of the compounds or compositions in agriculture or horticulture for combating, preventing or controlling infestation of plants, harvested food crops, seeds or non-living materials by phytopathogenic microorganisms, in particular fungi.