噻唑-5-羧酸肼 | 101257-37-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 噻唑-5-羧酸肼
• 中文别名: 2-(4-溴苯基)-4,5,6,7-四氢噻唑并[5,4-C]吡啶；噻唑-5-卡巴肼
• 英文名称: thiazole-5-carbohydrazide
• 英文别名: thiazole-5-carboxylic acid hydrazide；Thiazol-5-carbonsaeure-hydrazid；1,3-thiazole-5-carbohydrazide
• CAS: 101257-37-8
• 化学式: C₄H₅N₃OS
• mdl: MFCD06738994
• 分子量: 143.169
• InChiKey: PNAGFBYMIAMVGC-UHFFFAOYSA-N

物化性质

• 熔点：
  157-159 °C
• 密度：
  1.436±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  96.2
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2934100090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Thiazole-5-carboxylic acid hydrazide
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: Thiazole-5-carboxylic acid hydrazide
CAS number: 101257-37-8

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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: C4H5N3OS
Molecular weight: 143.2

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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：

  噻唑-5-羧酸肼 在 盐酸 、 sodium nitrite 作用下， 生成 thiazole-5-carbonyl azide
  参考文献：
  名称：

  überDerivate des 5-Amino-thiazols I

  摘要：

  DOI：

  10.1002/hlca.19470300660
• 作为产物：
  描述：

  噻唑-5-甲酸乙酯 在 一水合肼 作用下， 生成 噻唑-5-羧酸肼
  参考文献：
  名称：

  Campaigne et al., Journal of medicinal and pharmaceutical chemistry, 1959, vol. 1, p. 577,594

  摘要：

  DOI：

文献信息

• [EN] 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS<br/>[FR] DÉRIVÉS DE 5,6,7,8-TÉTRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZINE COMME MODULATEURS DE P2X7
  申请人：GLAXO GROUP LTD

  公开号：WO2010125102A1

  公开（公告）日：2010-11-04

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof wherein A is hydrogen, C1-4alkyl, C3-6cycloalkyl, C1-3alkoxy, C1-3alkoxy C1-4alkyl, C1-2fluoroalkyl, halogen, NR6 R7, optionally substituted heteroaryl (Het), or optionally substituted phenyl, and R1, R2, R3, R4, R5, R6 and R7 are as defined in the description. The compounds or salts are thought to modulate P2X7 receptor function and to be capable of antagonizing the effects of ATP at the P2X7 receptor. The invention also provides the use of the compound or salt in the treatment or prophylaxis of, for example, inflammatory pain, neuropathic pain, visceral pain, rheumatoid arthritis, osteoarthritis or neurodegenerative disorders.

  本发明提供了一种式(I)化合物或其药学上可接受的盐，其中A为氢、C1-4烷基、C3-6环烷基、C1-3烷氧基、C1-3烷氧基C1-4烷基、C1-2氟烷基、卤素、NR6 R7、任选取代的杂芳基(Het)或任选取代的苯基，且R1、R2、R3、R4、R5、R6和R7如说明书中所定义。这些化合物或盐被认为能够调节P2X7受体功能，并能拮抗ATP在P2X7受体上的作用。本发明还提供了该化合物或盐在治疗或预防例如炎症性疼痛、神经性疼痛、内脏疼痛、类风湿性关节炎、骨关节炎或神经退行性疾病中的用途。
• COMPOUNDS AND THEIR USES AS MIF INHIBITORS
  申请人：Nanjing Immunophage BioTech Co., Ltd.

  公开号：US20210403484A1

  公开（公告）日：2021-12-30

  The present invention provides compounds of Formula I which can be used as macrophage migration inhibitory factor (MIF) inhibitors; methods for the production of the compounds of the invention; pharmaceutical compositions comprising the compounds of the invention; as well as uses and methods for treating a disease mediated by MIF by administering the compounds of the invention.

  本发明提供了一种可以用作巨噬细胞迁移抑制因子（MIF）抑制剂的化合物I的公式；本发明化合物的制备方法；包括本发明化合物的药物组合物；以及通过给予本发明化合物来治疗由MIF介导的疾病的用途和方法。
• Broadening the scope of 1,2,4-triazine synthesis by the application of microwave technology
  作者：Zhijian Zhao、William H. Leister、Kimberly A. Strauss、David D. Wisnoski、Craig W. Lindsley

  DOI：10.1016/s0040-4039(02)02845-9

  日期：2003.2

  By the application of microwave technology, a general protocol has been developed for the rapid synthesis of diverse 3,5,6-trisubstituted 1,2,4-triazines in excellent yield and purity, including many previously unknown 3-heterocyclic-1,2,4-triazines.

  通过微波技术的应用，已开发出通用协议，可以以优异的收率和纯度快速合成各种3,5,6-三取代的1,2,4-三嗪，包括许多以前未知的3-杂环-1,2 ，4-三嗪。
• MAOS protocols for the general synthesis and lead optimization of 3,6-disubstituted-[1,2,4]triazolo[4,3-b]pyridazines
  作者：Leslie N. Aldrich、Evan P. Lebois、L. Michelle Lewis、Natalia T. Nalywajko、Colleen M. Niswender、C. David Weaver、P. Jeffrey Conn、Craig W. Lindsley

  DOI：10.1016/j.tetlet.2008.10.127

  日期：2009.1

  General, high-yielding MAOS protocols for the expedient synthesis of functionalized 3,6-disubstituted-[1,2,4]triazolo[4,3-b]pyridazines are described amenable to an iterative analog library synthesis strategy for the lead optimization of an M1 antagonist screening hit. Optimized compounds proved to be highly selective M1 antagonists.

  描述了用于功能化 3,6-二取代-[1,2,4] 三唑并 [4,3- b ] 哒嗪的便利合成的通用、高产 MAOS 协议，该协议适用于先导优化的迭代类似物库合成策略M1 拮抗剂筛选命中。经优化的化合物被证明是高度选择性的 M1 拮抗剂。
• Über Thiazolyl-isopropylamine
  作者：Max Erne、F. Ramirez、A. Burger

  DOI：10.1002/hlca.19510340117

  日期：——

  Es wird die Darstellung von 1-[Thiazolyl-(4′)]-2-aminopropan und 1-[Thiazolyl-(5′)]-2-aminopropan beschrieben. Beide Amine wurden aus den entsprechenden Thiazol-carbonsäureestern Über die Aldehyde, Kondensation derselben mit Nitroäthan und Reduktion der so erhaltenen Nitro-olefine mit LiAlH4 gewonnen. Zum Vergleich wurde 1-[Thiazolyl-(4′)]-2-aminopropan noch auf einem anderen Wege dargestellt. Ausgehend

  描述了1- [噻唑基-（4'）]-2-氨基丙烷和1- [噻唑基-（5'）]-2-氨基丙烷的制备。两种胺均通过醛从相应的噻唑-羧酸酯，将其与硝基乙烷缩合并由此用LiAlH 4还原得到的硝基烯烃而获得。为了比较，以不同的方式呈现了1- [噻唑基-（4'）]-2-氨基丙烷。从DL-β-邻苯二甲酰亚胺基丁酸开始，噻唑环可以以已知的方式建立。此外，显着改善了作为原料的噻唑-4-羧酸乙酯和噻唑-5-羧酸甲酯的制备方法。