4-(三丁基甲锡烷基)噻唑 | 173979-01-6

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机金属化合物 - 金属芳基
• 中文名称: 4-(三丁基甲锡烷基)噻唑
• 中文别名: 4-(三正丁基锡)噻唑；4-(三丁基锡烷基)噻唑
• 英文名称: 4-(tributylstannyl)-1,3-thiazole
• 英文别名: 4-(tributylstannyl)thiazole；tributyl(thiazol-4-yl)stannane；tributyl(1,3-thiazol-4-yl)stannane
• CAS: 173979-01-6
• 化学式: C₁₅H₂₉NSSn
• 分子量: 374.178
• InChiKey: YYQKQPYPLADFMK-UHFFFAOYSA-N

物化性质

• 沸点：
  377.9±34.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  18
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  6.1
• 危险品标志：
  T
• 海关编码：
  2934100090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(Tributylstannyl)thiazole
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301: Toxic if swallowed
H312: Harmful in contact with skin
H315: Causes skin irritation
H319: Causes serious eye irritation
H372: Causes damage to organs through prolonged or repeated exposure
H400: Very toxic to aquatic life
H410: Very toxic to aquatic life with long lasting effects
P280: Wear protective gloves/protective clothing/eye protection/face protection
Avoid release to the environment
P273:
IF exposed or you feel unwell:
P309:
P310: Immediately call a POISON CENTER or doctor/physician

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Section 3. Composition/information on ingredients.
Ingredient name: 4-(Tributylstannyl)thiazole
CAS number: 173979-01-6

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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.
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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C15H29NSSn
Molecular weight: 374.2

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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
UN Number: UN2788 Class: 6.1 Packing group: III
Proper shipping name: ORGANOTIN COMPOUNDS, LIQUID, N.O.S. (4-(Tributylstannyl)thiazole)

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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：

  4-(三丁基甲锡烷基)噻唑 在 四(三苯基膦)钯 lithium chloride 作用下， 以 1,4-二氧六环 为溶剂， 以350 mg (77.1%)的产率得到5-(4-Ethyl-5-(3-fluoro-4-(1,3-thiazol-4-yl)phenyl)-3-trifluoromethyl-1H-pyrazol-1-yl)-2-pyridinesulfonamide
  参考文献：
  名称：

  Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents

  摘要：

  本发明涉及一种化合物的公式： 1 或其药用可接受的盐，其中A和R 1 各自为可选地取代的5至6成员的杂芳基，其中杂芳基可选择性熔合至碳环或5至6-杂芳基；R 2 为NH 2 ；R 3 和R 4 各自为氢，卤素，(C 1 -C 4 )烷基可选择性被卤素等取代；和X 1 至X 4 各自为氢，卤素，羟基，(C 1 -C 4 )烷基可选择性被卤素等取代。这些化合物具有COX-2抑制活性，因此可用于治疗或预防炎症或其它COX-2相关疾病。

  公开号：

  US20030144280A1
• 作为产物：
  描述：

  2-trimethylsilyl-4-tri-n-butylstannylthiazole 在 甲醇 、 aluminum oxide 、 氨 作用下， 以 氯仿 为溶剂， 生成 4-(三丁基甲锡烷基)噻唑
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS
  [FR] COMPOSES HETEROCYCLIQUES

  摘要：

  式I的化合物及其药用盐，其中Ar和R如规范中所定义，含有这种化合物的组合物以及这种化合物和组合物在治疗中的用途。

  公开号：

  WO2003087104A1
• 作为试剂：
  描述：

  4-溴-2-三甲基硅烷噻唑 、 正丁基锂 、 三丁基氯化锡 、 2-trimethylsilyl-4-tri-n-butylstannylthiazole 在 氮气 、 sodium hydroxide 、 magnesium sulfate 、 4-(三丁基甲锡烷基)噻唑 作用下， 以 乙醚 、 氯仿 、 甲醇 为溶剂， 反应 1.5h， 以to give the sub-title compound, 4-tri-n-butylstannylthiazole as a yellow oil (330 mg)的产率得到4-(三丁基甲锡烷基)噻唑
  参考文献：
  名称：

  Heterocyclic compounds

  摘要：

  公式I的化合物及其药学上可接受的盐，其中Ar和R的定义如规范中所述，包含这种化合物的组合物以及这种化合物和组合物在治疗中的应用。

  公开号：

  US20050131003A1

文献信息

• [EN] NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF HEPATITIS B<br/>[FR] NOUVEAUX COMPOSÉS ET COMPOSITIONS PHARMACEUTIQUES DE CEUX-CI POUR LE TRAITEMENT DE L'HÉPATITE B
  申请人：GALAPAGOS NV

  公开号：WO2020239656A1

  公开（公告）日：2020-12-03

  The present invention discloses compounds according to Formula (I), wherein X, G, R1, R2a, R2b, R3, R4, and R5 are as defined herein. The present invention relates to compounds, methods for their production, pharmaceutical compositions comprising the same, and methods of treatment using the same, for the prophylaxis and/or treatment of diseases involving hepatitis B by administering the compound of the invention.

  本发明公开了根据式（I）的化合物，其中X、G、R1、R2a、R2b、R3、R4和R5如本文所定义。本发明涉及化合物、其生产方法、包括其在内的药物组合物，以及使用该化合物进行预防和/或治疗涉及乙型肝炎的疾病的方法。
• [EN] FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE<br/>[FR] COMPOSÉS TRYCICLIQUES CONDENSÉS ET UTILISATIONS CORRESPONDANTES EN MÉDECINE
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2018219356A1

  公开（公告）日：2018-12-06

  The present invention relates to a fused tricyclic compound and use thereof as a medicament, in particular as a medicament for the treatment and/or prevention of hepatitis B. Specifically, the invention relates to a compound having Formula (I) or a stereoisomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, wherein each variate is as defined in specification. The invention also relates to the use of the compound having Formula (I) or a stereoisomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof as a medicament, especially as a medicament for the treatment and/or prevention of hepatitis B.

  本发明涉及一种融合三环化合物及其作为药物的用途，特别是作为治疗和/或预防乙型肝炎的药物。具体地，本发明涉及具有化学式（I）或其立体异构体、互变异构体、N-氧化物、溶剂合物、代谢物、药学上可接受的盐或其前药的化合物，其中每个变量如规范中所定义。本发明还涉及将具有化学式（I）或其立体异构体、互变异构体、N-氧化物、溶剂合物、代谢物、药学上可接受的盐或其前药用作药物，特别是作为治疗和/或预防乙型肝炎的药物。
• [EN] AZAINDOLE DERIVATIVES WHICH ACT AS PI3K INHIBITORS<br/>[FR] DÉRIVÉS D'AZAINDOLE AGISSANT COMME INHIBITEUR DE PI3K
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2014011568A1

  公开（公告）日：2014-01-16

  Disclosed are compounds of Formula 1, and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, and R10 are defined in the specification. This disclosure also relates to materials and methods for preparing compounds of Formula 1, to pharmaceutical compositions which contain them, and to their use for treating immunological disorders, cardiovascular disease, cancer, and other diseases, disorders or conditions associated with PI3Kδ.

  揭示了Formula 1的化合物及其药用盐，其中R1、R2、R3、R4、R5、R6、R7、R8、R9和R10在规范中有定义。本公开还涉及制备Formula 1化合物的材料和方法，含有它们的药物组合物，以及它们用于治疗免疫性疾病、心血管疾病、癌症和与PI3Kδ相关的其他疾病、疾患或症状的用途。
• [EN] AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS<br/>[FR] DÉRIVÉS AMINÉS DE PYRAZINE UTILISABLES EN TANT QU'INHIBITEURS DE LA PHOSPHATIDYLINOSITOL 3-KINASE
  申请人：NOVARTIS AG

  公开号：WO2015162459A1

  公开（公告）日：2015-10-29

  The present invention provides compounds of formula (I) which inhibit the activity of PI 3-kinase gamma isoform, which are useful for the treatment of diseases mediated by the activation of PI 3-kinase gamma isoform.

  本发明提供了一种公式（I）的化合物，该化合物抑制PI 3-激酶γ同工酶的活性，对于治疗由PI 3-激酶γ同工酶激活介导的疾病是有用的。
• [EN] ARYLAMIDES AND METHODS OF USE THEREOF<br/>[FR] ARYLAMIDES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：GENZYME CORP

  公开号：WO2021113809A1

  公开（公告）日：2021-06-10

  The present disclosure relates to heterocyclic compounds, pharmaceutically acceptable salts thereof, and pharmaceutical preparations thereof. Also described herein are compositions and the use of such compounds in methods of treating diseases and conditions mediated by deficient CFTR activity, in particular cystic fibrosis.

  本公开涉及杂环化合物，其药用盐以及药物制剂。本文还描述了这些化合物的组成以及在治疗由CFTR活性不足介导的疾病和病况的方法中的使用，特别是囊性纤维化。