4,5-二甲基-2-(三丁基锡)噻唑 | 938181-92-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4,5-二甲基-2-(三丁基锡)噻唑
• 中文别名: 4,5-二甲基-2-(三丁基锡烷基)噻唑
• 英文名称: 4,5-dimethyl-2-(tributylstannyl)thiazole
• 英文别名: tributyl-(4,5-dimethyl-1,3-thiazol-2-yl)stannane
• CAS: 938181-92-1
• 化学式: C₁₇H₃₃NSSn
• 分子量: 402.232
• InChiKey: QAPTXJNMSZQTDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.82
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2934100090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4,5-Dimethyl-2-(tributylstannyl)thiazole
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: 4,5-Dimethyl-2-(tributylstannyl)thiazole
CAS number: 938181-92-1

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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: C17H33NSSn
Molecular weight: 402.2

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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
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：

  4-chloro-6-(4-methoxybenzyloxy)-2-(4-trifluoromethylthiazol-2-yl)pyrimidine 、 4,5-二甲基-2-(三丁基锡)噻唑 在 bis-triphenylphosphine-palladium(II) chloride potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以92%的产率得到6-(4,5-dimethylthiazol-2-yl)-4-(4-methoxybenzyloxy)-2-(4-trifluoromethylthiazol-2-yl)pyrimidine
  参考文献：
  名称：

  [EN] MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV
  [FR] INHIBITEURS MACROCYCLIQUES DE LA SÉRINE PROTÉASE MACROCYCLIQUE UTILES CONTRE LES INFECTIONS VIRALES, EN PARTICULIER LE VIRUS DE L’HÉPATITE C

  摘要：

  本文提供了大环丝氨酸蛋白酶抑制剂化合物，例如，化学式（Ia）或（Ib）所示的化合物，包括这些化合物的药物组合物，以及其制备方法。还提供了它们用于治疗宿主中HCV感染的方法。

  公开号：

  WO2011017389A1

文献信息

• Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections
  申请人：Parsy Christophe Claude

  公开号：US09353100B2

  公开（公告）日：2016-05-31

  Provided herein are macrocyclic serine protease inhibitor compounds, for example, of Formula I, and pharmaceutical compositions and processes of preparation thereof. Also provided are methods of their use for the treatment of an HCV infection in a host in need thereof.

  本文提供了大环丝氨酸蛋白酶抑制剂化合物，例如，Formula I的化合物，以及其制备的药物组合物和制备方法。还提供了它们用于治疗宿主中HCV感染的方法。
• Calcilytic Compounds
  申请人：Ku Thomas Wen Fu

  公开号：US20090137557A1

  公开（公告）日：2009-05-28

  Novel calcilytic compounds, pharmaceutical compositions, methods of synthesis and methods of using them are provided.

  本发明提供了新型的钙离子受体拮抗剂化合物、制药组合物、合成方法和使用方法。
• 一种IRAK4激酶抑制剂及其制备方法
  申请人：珠海宇繁生物科技有限责任公司

  公开号：CN114790208A

  公开（公告）日：2022-07-26

  本发明提供一种通式为Ⅰ的化合物，及其药学上可接受的盐、立体异构体、酯、前药、溶剂化物和氘代化合物，所述的化合物为IRAK4激酶抑制剂，可用于与IRAK4相关的疾病的预防和/或治疗，如自身免疫性疾病、炎症性疾病、癌症、异种免疫性疾病、血栓栓塞、动脉粥样硬化、心肌梗死、代谢综合症。
• Exploring positions 6 and 7 of a quinazoline-based scaffold leads to changes in selectivity and potency towards RIPK2/3 kinases
  作者：Mbilo Misehe、Marika Matoušová、Alexandra Dvořáková、Kamil Hercík、Kryštof Škach、Dominika Chalupská、Milan Dejmek、Michal Šála、Miroslav Hájek、Evzen Boura、Helena Mertlíková-Kaiserová、Radim Nencka

  DOI：10.1016/j.ejmech.2023.115717

  日期：2023.11

  (RIPK1-4) shed light on multiple potent and selective RIPK2 and dual RIPK2/3 inhibitors. Furthermore, evaluations in living cells against the RIPK2-NOD1/2-mediated signaling pathways, identified as the potential primary targets, demonstrated nanomolar inhibition for a majority of the compounds. In addition, we have demonstrated overall good stability of various lead inhibitors in both human and mouse microsomes

  受体相互作用蛋白激酶 2 和 3（RIPK2 和 RIPK3）被认为是治疗多种炎症性疾病和癌症的有吸引力的治疗酶靶点。在本研究中，我们开发了三个相互关联的系列新型喹唑啉衍生物，以研究中央核心 6 和 7 位的广泛修饰对这些 RIPK 的抑制活性和选择性的影响。衍生物设计的灵感来源于对 RIPK2 和 RIPK3 与已知喹唑啉或喹啉抑制剂复合物的现有文献知识的分析。对所制备的分子针对纯化 RIPK (RIPK1-4) 的生物活性进行的酶学研究揭示了多种有效且选择性的 RIPK2 和双重 RIPK2/3 抑制剂。此外，在活细胞中针对 RIPK2-NOD1/2 介导的信号通路（被确定为潜在的主要靶标）进行的评估表明，大多数化合物都具有纳摩尔抑制作用。此外，我们还证明了各种先导抑制剂在人和小鼠微粒体和血浆中的整体良好稳定性。其中几种化合物还针对 RIPK 以外的 58 种人类激酶进行了选择性评估，