8-溴-5-甲基咪唑并[1,2-a]吡啶盐酸盐 | 957120-36-4

• 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: 8-溴-5-甲基咪唑并[1,2-a]吡啶盐酸盐
• 中文别名: 8-溴-5-甲基咪唑并[1,2a]吡啶盐酸盐
• 英文名称: 8-bromo-5-methylimidazo[1,2-a]pyridine hydrochloride
• 英文别名: 8-bromo-5-methylimidazo[1,2-a]pyridine;hydrochloride
• CAS: 957120-36-4
• 化学式: C₈H₇BrN₂*ClH
• 分子量: 247.522
• InChiKey: XDXQVISKIZXMLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.83
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  17.3
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 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
• 储存条件：
  存储条件为2-8°C，并需保存在惰性气体中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 8-Bromo-5-methylimidazo[1,2-a]pyridine, HCl
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: 8-Bromo-5-methylimidazo[1,2-a]pyridine, HCl
CAS number: 957120-36-4

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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: C8H8BrClN2
Molecular weight: 247.5

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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, 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：

  zinc(II) cyanide 、 8-溴-5-甲基咪唑并[1,2-a]吡啶盐酸盐 在 氨 、 1,1'-双(二苯基膦)二茂铁 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 锌 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基乙酰胺 为溶剂， 反应 1.0h， 以86%的产率得到5-Methylimidazo[1,2-a]pyridine-8-carbonitrile
  参考文献：
  名称：

  [EN] NEW SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS
  [FR] NOUVEAUX AGONISTES DU RÉCEPTEUR DE SOMATOSTATINE DE SOUS-TYPE 4 (SSTR4)

  摘要：

  这项发明涉及一般式(I)的3-aza-双环[3.1.0]己烷-6-羧酸酰胺衍生物，它们是生长抑素受体亚型4（SSTR4）的激动剂，用于预防或治疗与SSTR4相关的医学疾病。此外，该发明涉及制备药物组合物的方法，以及根据该发明制备化合物的方法。

  公开号：

  WO2014184275A1

文献信息

• Somatostatin receptor subtype 4 (SSTR4) agonists
  申请人：Centrexion Therapeutics Corporation

  公开号：US10166214B2

  公开（公告）日：2019-01-01

  3-aza-bicyclo[3.1.0]hexane-6-carboxylic acid amide derivatives which are agonists of somatostatin receptor subtype 4 (SSTR4), useful for preventing or treating medical disorders related to SSTR4.

  3-氮杂双环[3.1.0]己烷-6-羧酸酰胺衍生物是体生长抑素受体亚型 4（SSTR4）的激动剂，可用于预防或治疗与 SSTR4 有关的疾病。
• US2014/343065
  申请人：——

  公开号：——

  公开（公告）日：——
• NEW SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS
  申请人：Centrexion Therapeutics Corporation

  公开号：EP2997021B1

  公开（公告）日：2017-12-20
• US20140343065A1
  申请人：——

  公开号：US20140343065A1

  公开（公告）日：2014-11-20
• SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS
  申请人：Centrexion Therapeutics Corporation

  公开号：US20180092880A1

  公开（公告）日：2018-04-05

  3-aza-bicyclo[3.1.0]hexane-6-carboxylic acid amide derivatives which are agonists of somatostatin receptor subtype 4 (SSTR4), useful for preventing or treating medical disorders related to SSTR4.