6-氯咪唑并[1,2-A]吡啶-2-羧酸 | 182181-19-7

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 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: 6-氯咪唑并[1,2-A]吡啶-2-羧酸
• 中文别名: 6-氯咪唑[1,2-a]吡啶-2-甲酸；6-氯咪唑并[1,2-a]吡啶-2-羧酸
• 英文名称: 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid
• CAS: 182181-19-7
• 化学式: C₈H₅ClN₂O₂
• mdl: MFCD02186559
• 分子量: 196.593
• InChiKey: YZBKAIKDSQEETA-UHFFFAOYSA-N

物化性质

• 熔点：
  228-229°C
• 密度：
  1.58±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 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
• 危险品标志：
  Xi
• 安全说明：
  S26
• 危险类别码：
  R36/37/38
• 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：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-Chloroimidazo[1,2-a]pyridine-2-carboxylic acid
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H319: Causes serious eye irritation
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 6-Chloroimidazo[1,2-a]pyridine-2-carboxylic acid
CAS number: 182181-19-7

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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.
Storage: Store in closed vessels.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H5ClN2O2
Molecular weight: 196.6

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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.

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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：

  6-氯咪唑并[1,2-A]吡啶-2-羧酸 在 硼烷四氢呋喃络合物 、 盐酸 、 甲醇 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 2.25h， 生成 6-氯咪唑o[1,2-a]吡啶-2-基-甲醇
  参考文献：
  名称：

  WO2008/84236

  摘要：

  公开号：
• 作为产物：
  描述：

  (R)-S-(2-(5-Bromo-2-fluorophenyl)-2-((tert-butoxy carbonyl)amino)propyl) ethanethioate 在 sodium methylate 作用下， 以 甲醇 、 乙醇 、 正庚烷 、 水 、 双氧水 为溶剂， 生成 6-氯咪唑并[1,2-A]吡啶-2-羧酸
  参考文献：
  名称：

  AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE

  摘要：

  本发明提供了一类新的化合物，用于调节β-分泌酶（BACE）活性。这些化合物具有一般的化学式I： 其中化学式I中的变量A4、A5、A6、A8、R1、R2、R3、R7和n在此独立地被定义。该发明还提供了包含这些化合物的药物组合物，以及这些化合物和组合物用于治疗与A-beta斑块形成和沉积相关的疾病和/或症状的对应用途，这些疾病和症状是由BACE的生物活性引起的。这种由BACE介导的疾病包括阿尔茨海默病、认知缺陷、认知障碍、精神分裂症和其他中枢神经系统疾病。该发明还提供了化学式II的化合物及其亚式化合物，中间体和用于制备化学式I-II化合物的有用过程和方法。

  公开号：

  US20140107109A1

文献信息

• Imidazo\x9b1,2-a!pyridines for the treatment of CNS and cardiac diseases
  申请人：Pharmacia & Upjohn Company

  公开号：US05912246A1

  公开（公告）日：1999-06-15

  The present invention relates to imidazo\x9b1,2-a!pyridine compounds of formula (1) ##STR1## which are dopamine D-4 antagonists and useful as anti-psychotic agents.

  本发明涉及式（1）的咪唑并[1,2-a]吡啶化合物，它们是多巴胺D-4拮抗剂，可用作抗精神病药物。
• [EN] SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME<br/>[FR] AMIDES TRICYCLIQUES SUBSTITUÉS, ANALOGUES DE CEUX-CI ET PROCÉDÉS LES METTANT EN OEUVRE
  申请人：ARBUTUS BIOPHARMA CORP

  公开号：WO2021229302A1

  公开（公告）日：2021-11-18

  The present disclosure includes substituted tricyclic amides, or analogues thereof of formula (I) (I), wherein X, Y, ring A, R1, R5, R6 and R7 are as defined herein, and compositions comprising compounds of formula (I) that can be used to treat or prevent hepatitis B virus (HBV) and/or hepatitis D virus (HDV) infections in a patient.

  本公开涵盖了替代三环酰胺，或其类似物的化合物，其化学式为(I)，其中X、Y、环A、R1、R5、R6和R7如本文所定义，并包括化合物(I)的组合物，可用于治疗或预防患者体内的乙型肝炎病毒（HBV）和/或丙型肝炎病毒（HDV）感染。
• 2-HETEROAROYLIMIDAZOL[1,2-a]PYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF
  申请人：Peyronel Jean-Francois

  公开号：US20100317688A1

  公开（公告）日：2010-12-16

  Compounds of formula (I): in which: X, R 1 , R 2 , R 3 , and R 4 are as defined in the disclosure, or an acid addition salt thereof; an therapeutic use thereof.

  式(I)的化合物： 其中： X，R1，R2，R3和R4如披露中所定义，或其酸盐；其治疗用途。
• [EN] DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS<br/>[FR] DIHYDROPYRIMIDINONES POUR UTILISATION EN TANT QU'INHIBITEURS DE BACE2
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010128058A1

  公开（公告）日：2010-11-11

  This invention relates to dihydropyrimidinones of the formula (I), wherein X and R1 to R7 are as defined in the description and in the claims, as well as pharmaceutically acceptable salts thereof. These compounds are BACE2 inhibitors and can be used as medicaments for the treatment or prevention of diseases such as diabetes.

  这项发明涉及公式（I）中的二氢嘧啶酮，其中X和R1至R7如描述和索赔中定义的那样，以及其药学上可接受的盐。这些化合物是BACE2抑制剂，可用作治疗或预防疾病如糖尿病的药物。
• 2-BENZOYLIMIDAZOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF
  申请人：PEYRONEL Jean-Francois

  公开号：US20090143420A1

  公开（公告）日：2009-06-04

  The present invention is related to a compound of formula (I) wherein R1, R2, R3, R4 and X are as defined herein, or an acid-addition salt thereof, its preparation and therapeutic use in the treatment or prevention of diseases involving the Nurr-1 nuclear receptors, also known as NR4A2, NOT, TINUR, RNR-1 and HZF3.

  本发明涉及一种化合物，其化学式为(I)，其中R1、R2、R3、R4和X如本文所定义，或其酸盐，以及其制备和在治疗或预防涉及Nurr-1核受体（也称为NR4A2、NOT、TINUR、RNR-1和HZF3）相关疾病中的治疗用途。