2-疏基-5-甲氧基噻唑并[4,5-b]吡啶 | 1215206-53-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-疏基-5-甲氧基噻唑并[4,5-b]吡啶
• 英文名称: 5-methoxythiazolo[4,5-b]pyridine-2-thiol
• 英文别名: 5-methoxy-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione
• CAS: 1215206-53-3
• 化学式: C₇H₆N₂OS₂
• mdl: MFCD15143573
• 分子量: 198.269
• InChiKey: HVIJNFNWSQFFFL-UHFFFAOYSA-N

物化性质

• 沸点：
  346.7±52.0 °C(Predicted)
• 密度：
  1.53±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  91.5
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Mercapto-5-methoxythiazolo[4,5-b]pyridine
Synonyms: 5-Methoxythiazolo[4,5-b]pyridine-2-thiol

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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-Mercapto-5-methoxythiazolo[4,5-b]pyridine
CAS number: 1215206-53-3

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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: C7H6N2OS2
Molecular weight: 198.3

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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, sulfur oxides.

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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-疏基-5-甲氧基噻唑并[4,5-b]吡啶 、 N-苯并[1,3]二氧五环-5-基-2-氯乙酰胺 在 三乙胺 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 1.5h， 以50.6%的产率得到N-(benzo[d][1,3]dioxol-5-yl)-2-((5-methoxythiazolo[4,5-b]pyridin-2-yl)thio)acetamide
  参考文献：
  名称：

  Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and Stimulator for Interferon Genes (STING) modulators as cancer immunotherapeutics

  摘要：

  取代的-3H-咪唑[4,5-c]吡啶和1H-吡咯[2,3-c]吡啶系列新型胞外核苷酸焦磷酸酶/磷酸二酯酶-1 (ENPP1)及相关化合物，其作为ENPP1的抑制剂是有用的；制造这些化合物的方法；包含这些化合物的药物组合物；以及使用这些化合物和组合物治疗与ENPP1功能障碍相关的疾病的方法。

  公开号：

  US20200039979A1

文献信息

• Substituted-3H-imidazo [4,5-c] pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel ectonucleotide pyrophosphatase/phosphodiesterase-1 (ENPP1) and stimulator for interferon genes (STING) modulators as cancer immunotherapeutics
  申请人：Stingray Therapeutics, Inc.

  公开号：US10689376B2

  公开（公告）日：2020-06-23

  Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and related compounds, which are useful as inhibitors of ENPP1; synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of using the compounds and compositions to treat disorders associated with dysfunction of the ENPP1.

  取代的-3H-咪唑并[4,5-c]吡啶和1H-吡咯并[2,3-c]吡啶系列新型外核苷酸焦磷酸酶/磷酸二酯酶-1（ENPP1）及相关化合物，可用作ENPP1的抑制剂；制造这些化合物的合成方法；包含这些化合物的药物组合物；以及使用这些化合物和组合物治疗与ENPP1功能障碍有关的疾病的方法。
• Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and stimulator for interferon genes (STING) modulators as cancer immunotherapeutics
  申请人：Stingray Therapeutics, Inc.

  公开号：US11142524B2

  公开（公告）日：2021-10-12

  Substituted -3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and related compounds, which are useful as inhibitors of ENPP1; synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of using the compounds and compositions to treat disorders associated with dysfunction of the ENPP1.

  取代的-3H-咪唑并[4,5-c]吡啶和1H-吡咯并[2,3-c]吡啶系列新型外核苷酸焦磷酸酶/磷酸二酯酶-1（ENPP1）及相关化合物，可用作ENPP1的抑制剂；制造这些化合物的合成方法；包含这些化合物的药物组合物；以及使用这些化合物和组合物治疗与ENPP1功能障碍有关的疾病的方法。
• SUBSTITUTED-3H-IMIDAZO(4,5-C)PYRIDINE AND 1H-PYRROLO(2,3-C)PYRIDINE SERIES OF NOVEL ECTONUCLEOTIDE PYROPHSPHATASE/PHOSPHODIESTRASE-1 (ENPP1) AND STIMULATOR FOR INTERFERON GENES (STING) MODULATOR AS CANCER IMMUNOTHERAPEUTICS
  申请人：Stingray Therapeutics, Inc.

  公开号：EP3658138A1

  公开（公告）日：2020-06-03
• SUBSTITUTED-3H-IMIDAZO[4,5-C]PYRIDINE AND 1H PYRROLO[2,3-C]PYRIDINE SERIES OF NOVEL ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE-1 (ENPP1) AND STIMULATOR FOR INTERFERON GENES (STING) MODULATORS AS CANCER IMMUNOTHERAPEUTICS
  申请人：Stingray Therapeutics, Inc.

  公开号：EP3829561A1

  公开（公告）日：2021-06-09
• [EN] SUBSTITUTED-3H-IMIDAZO(4,5-C)PYRIDINE AND 1H-PYRROLO(2,3-C)PYRIDINE SERIES OF NOVEL ECTONUCLEOTIDE PYROPHSPHATASE/PHOSPHODIESTRASE-1 (ENPP1) AND STIMULATOR FOR INTERFERON GENES (STING) MODULATOR AS CANCER IMMUNOTHERAPEUTICS<br/>[FR] SÉRIE DE 3 H-IMIDAZO(4,5-C)PYRIDINE SUBSTITUÉE ET DE 1H-PYRROLO(2,3-C)PYRIDINE D'UNE NOUVELLE ECTONUCLÉOTIDE PYROPHOSPHATASE/PHOSPHODIESTÉRASE-1 (ENPP1) ET STIMULATEUR POUR UN MODULATEUR DE GÈNES D'INTERFÉRON (STING) EN TANT QU'AGENTS IMMUNOTHÉRAPEUTIQUES CONTRE LE CANCER
  申请人：STINGRAY THERAPEUTICS INC

  公开号：WO2019023635A1

  公开（公告）日：2019-01-31

  Substituted -3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,5-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase- 1 (ENPP1 ) and related compounds, which are useful as inhibitors of ENPP1; synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of using the compounds and compositions to treat disorders associated with dysfunction of the ENPP1.