2-溴-5,6-二氢噻吩并[2,3-c]吡啶-7(4H)-酮 | 960289-03-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 中文名称: 2-溴-5,6-二氢噻吩并[2,3-c]吡啶-7(4H)-酮
• 中文别名: 2-溴-5,6-二氢噻吩并[2,3-C]吡啶-7(4H)-酮
• 英文名称: 2-bromo-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one
• 英文别名: 2-bromo-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one
• CAS: 960289-03-6
• 化学式: C₇H₆BrNOS
• 分子量: 232.101
• InChiKey: WCHRPSHIMRQFRS-UHFFFAOYSA-N

物化性质

• 沸点：
  471.8±45.0 °C(Predicted)
• 密度：
  1.726±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  57.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090
• 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: 2-Bromo-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one
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: 2-Bromo-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one
CAS number: 960289-03-6

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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: C7H6BrNOS
Molecular weight: 232.1

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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, 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-溴-5,6-二氢噻吩并[2,3-c]吡啶-7(4H)-酮 在 tris-(dibenzylideneacetone)dipalladium(0) 、 四(三苯基膦)钯 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 吡啶 、 氢氧化钾 、 乙醇 、 水 、 sodium carbonate 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 甲醇 、 乙二醇二甲醚 、 水 为溶剂， 反应 26.0h， 生成 trifluoromethanesulfonic acid 2-methoxy-4-[2-(4-methoxy-phenyl)-7-oxo-4,7-dihydro-5H-thieno[2,3-c]pyridin-6-yl]-phenyl ester
  参考文献：
  名称：

  WO2007/146758

  摘要：

  公开号：
• 作为产物：
  描述：

  3-噻吩乙胺盐酸盐 在 溴 、 phosphorus pentoxide 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 反应 6.67h， 生成 2-溴-5,6-二氢噻吩并[2,3-c]吡啶-7(4H)-酮
  参考文献：
  名称：

  WO2007/146759

  摘要：

  公开号：

文献信息

• MST1 KINASE INHIBITORS AND METHODS OF THEIR USE
  申请人：Augeri David John

  公开号：US20120225857A1

  公开（公告）日：2012-09-06

  Compounds for the inhibition of mammalian Ste20-like kinase 1 (MST1) are disclosed, along with compositions comprising them and methods of their use in the treatment, management or prevention of an inflammatory or autoimmune diseases or disorders.

  揭示了用于抑制哺乳动物Ste20样激酶1（MST1）的化合物，以及包含它们的组合物和在治疗、管理或预防炎症性或自身免疫疾病或紊乱中使用它们的方法。
• [EN] ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS ALLOSTÉRIQUES D'EGFR ET LEURS MÉTHODES D'UTILISATION
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2021252661A1

  公开（公告）日：2021-12-16

  The disclosure relates to compounds that act as allosteric inhibitors of epidermal growth factor receptor (EGFR); pharmaceutical compositions comprising the compounds; and methods of treating or preventing kinase-mediated disorders, including cancer and other proliferation diseases.

  本公开涉及作为表皮生长因子受体（EGFR）的异构抑制剂的化合物；包括该化合物的制药组合物；以及用于治疗或预防激酶介导的疾病，包括癌症和其他增殖性疾病的方法。
• NOVEL MCH RECEPTOR ANTAGONISTS
  申请人：Amegadzie Albert Kudzovi

  公开号：US20100016350A1

  公开（公告）日：2010-01-21

  The present invention relates to a melanin concentrating hormone antagonist compound of formula (I): wherein R 1 , R a , R b , R 2 , L 1 , R 3 , R 4 and R 5 are as defined, or a pharmaceutically acceptable salt, enantiomer, diastereomer or mixture of diasteromers thereof useful in the treatment, obesity and related diseases.

  本发明涉及一种公式(I)的黑色素浓集激素拮抗剂化合物：其中R1、Ra、Rb、R2、L1、R3、R4和R5如定义，或其药学上可接受的盐、对映体、非对映体或其混合物，适用于治疗肥胖症及相关疾病。
• MCH receptor antagonists
  申请人：Eli Lilly and Company

  公开号：US08263772B2

  公开（公告）日：2012-09-11

  The present invention relates to a melanin concentrating hormone antagonist compound of formula (1): wherein R1, Ra, Rb, R2, L1, R3, R4 and R5 are as defined, or a pharmaceutically acceptable salt, enantiomer, diastereomer or mixture of diasteromers thereof useful in the treatment, obesity and related diseases.

  本发明涉及一种公式（1）的黑色素浓缩激素拮抗剂化合物：其中R1、Ra、Rb、R2、L1、R3、R4和R5如定义所述，或其药学上可接受的盐、对映体、非对映体或其混合物，用于治疗肥胖和相关疾病。
• MST1 kinase inhibitors and methods of their use
  申请人：Augeri David John

  公开号：US08440652B2

  公开（公告）日：2013-05-14

  Compounds for the inhibition of mammalian Ste20-like kinase 1 (MST1) are disclosed, along with compositions comprising them and methods of their use in the treatment, management or prevention of an inflammatory or autoimmune diseases or disorders. Particular compounds are of the formula:

  本发明揭示用于抑制哺乳动物Ste20样激酶1（MST1）的化合物，以及包含它们的组合物和在治疗、管理或预防炎症或自身免疫疾病或紊乱方面使用它们的方法。特定的化合物的公式为：