2-氨基-5-苯基噻唑 | 39136-63-5

• 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 - 有机杂环化合物 - 唑类
• 中文名称: 2-氨基-5-苯基噻唑
• 中文别名: 5-苯基-2-三唑胺；5-苯基-2-氨基噻唑；2-胺基-5-苯基噻酚；5-苯基噻唑-2-胺
• 英文名称: 5-phenyl-1,3-thiazol-2-amine
• 英文别名: 5-phenylthiazol-2-amine；2-amino-5-phenylthiazole；2-Amino-5-phenylthiazol；5-phenyl-1,3-thiazole-2-ylamine
• CAS: 39136-63-5
• 化学式: C₉H₈N₂S
• mdl: MFCD00022451
• 分子量: 176.242
• InChiKey: LSLUWQIENURREM-UHFFFAOYSA-N

物化性质

• 熔点：
  256-257℃
• 沸点：
  363.4±11.0 °C(Predicted)
• 密度：
  1.261

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934100090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存放于惰性气体中，并避免光照和空气接触。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Amino-5-phenylthiazole
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-Amino-5-phenylthiazole
CAS number: 39136-63-5

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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, refrigerated.
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: C9H8N2S
Molecular weight: 176.2

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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：

  2-氨基-5-苯基噻唑 在 盐酸 、 sodium nitrite 、 tin(II) chloride dihdyrate 作用下， 以 水 为溶剂， 生成 2-hydrazineyl-5-phenylthiazole
  参考文献：
  名称：

  [EN] CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF
  [FR] MODULATEURS DE CALPAIN ET LEURS UTILISATIONS THÉRAPEUTIQUES

  摘要：

  公开号：

  WO2018064119A8
• 作为产物：
  描述：

  苯乙醛 在 溴 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 9.0h， 生成 2-氨基-5-苯基噻唑
  参考文献：
  名称：

  [EN] HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS
  [FR] MODULATEURS ALLOSTÉRIQUES DES PROTÉINES DU NOYAU DE L'HÉPATITE B

  摘要：

  摘要 本公开提供了部分具有对乙型肝炎病毒Cp具有变构效应的化合物。本文还提供了治疗病毒感染（如乙型肝炎）的方法，包括向需要的患者施用所述化合物。

  公开号：

  WO2015138895A1

文献信息

• [EN] UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS<br/>[FR] DÉRIVÉS D'URÉE UTILISÉE EN TANT QUE MODULATEURS ALLOSTÉRIQUES DE CB1
  申请人：RTI INT

  公开号：WO2020264176A1

  公开（公告）日：2020-12-30

  Heteroaryl and aliphatic analogs of diarylurea-based cannabinoid 1 receptor (CB1 R) allosteric modulators of formula (I) are described. Exemplary analogs can provide improved potencies and pharmacokinetic properties. Methods of using the analogs to treat diseases mediated by CB1 R, such as substance abuse and obesity are described.

  基于二芳基脲的大麻素受体1（CB1 R）变构调节剂的杂环芳基和脂肪族类似物（I）的化学式已被描述。示例类似物可以提供改进的效力和药代动力学特性。描述了使用这些类似物治疗由CB1 R介导的疾病的方法，如物质滥用和肥胖症。
• [EN] PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE<br/>[FR] COMPOSÉS INHIBITEURS DE PHD, COMPOSITIONS ET UTILISATION
  申请人：AKEBIA THERAPEUTICS INC

  公开号：WO2021188938A1

  公开（公告）日：2021-09-23

  The present invention provides, in part, novel small molecule inhibitors of PHD, having a structure according to Formula (A), and sub-formulas thereof: or a pharmaceutically acceptable salt thereof. The compounds provided herein can be useful for treatment of diseases including heart ( e.g. ischemic heart disease, congestive heart failure, and valvular heart disease), lung (e.g., acute lung injury, pulmonary hypertension, pulmonary fibrosis, and chronic obstructive pulmonary disease), liver (e.g. acute liver failure and liver fibrosis and cirrhosis), and kidney (e.g. acute kidney injury and chronic kidney disease) disease.

  本发明部分提供了PHD的新型小分子抑制剂，其结构符合式（A）及其亚式结构：或其药学上可接受的盐。本文提供的化合物可用于治疗包括心脏病（例如缺血性心脏病、充血性心力衰竭和瓣膜性心脏病）、肺部疾病（例如急性肺损伤、肺动脉高压、肺纤维化和慢性阻塞性肺疾病）、肝脏疾病（例如急性肝功能衰竭和肝纤维化和肝硬化）和肾脏疾病（例如急性肾损伤和慢性肾脏疾病）的疾病。
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：MISSION THERAPEUTICS LTD

  公开号：WO2016046530A1

  公开（公告）日：2016-03-31

  The present invention relates to novel compounds and methods for the manufacture of inhibitors of deubiquitylating enzymes (DUBs). In particular, the invention relates to the inhibition of ubiquitin C-terminal hydrolase L1 (UCHL1). The invention further relates to the use of DUB inhibitors in the treatment of cancer and other indications. Compounds of the invention include compounds having the formula (I) or a pharmaceutically acceptable salt thereof, wherein R1 to R8 are as defined herein.

  本发明涉及新型化合物和制备去泛素化酶（DUBs）抑制剂的方法。具体而言，本发明涉及抑制泛素C端水解酶L1（UCHL1）。本发明进一步涉及在癌症和其他适应症治疗中使用DUB抑制剂。本发明的化合物包括具有式（I）或其药用可接受盐的化合物，其中R1至R8如本文所定义。
• Synthesis and antimalarial effects of N2-aryl-N4-[(dialkylamino)alkyl]- and N4-aryl-N2-[(dialkylamino)alkyl]-2,4-quinazolinediamines
  作者：Edward F. Elslager、Carolyn Hess、Judith Johnson、Daniel Ortwine、Vera Chu、Leslie M. Werbel

  DOI：10.1021/jm00134a002

  日期：1981.2

  N4)-aryl-N4(and N2)-[(dialkylamino)alkyl]-2,4-quinazolinediamines has been synthesized for antimalarial evaluation. Condensation of the appropriate 2,4-dichloroquinazoline (IV) with the requisite N,N-dialkylalkylenediamine afforded a series of 2-chloro-N-[(dialkylamino)alkyl]-4-quinazolinamines (V) which were condensed with the appropriate arylamine to provide the corresponding N2-aryl-N4-[(dialkylamino)alkyl]-2

  合成了一系列的N2（和N4）-芳基-N4（和N2）-[（（二烷基氨基）烷基] -2,4-喹唑啉二胺类，用于抗疟疾评估。适当的2，4-二氯喹唑啉（IV）与必要的N，N-二烷基亚烷基二胺缩合得到一系列的2-氯-N-[（（二烷基氨基）烷基] -4-喹唑啉胺（V），其与适当的芳基胺缩合。提供相应的N 2-芳基-N 4-[（（二烷基氨基）烷基] -2，4-喹唑啉二胺（VI）。将2,4-二氯喹唑啉水解为2-氯-4-喹唑啉，然后与适当的N，N-二烷基亚烷基二胺缩合，得到2-[[[（二烷基氨基）烷基]氨基] -4-喹唑啉（IXa）阵列。用三氯氧化磷氯化并与必要的芳基胺缩合得到N2-[（（二烷基氨基）烷基] -N4-苯基-2,4-喹唑啉二胺（X）。N2-芳基-N4-[（（二烷基氨基）烷基] -2,4-喹唑啉二胺（VI）中普遍具有抗疟活性，而反向异构体的活性较低。光毒性责任排除了对该系列成员的临床评估。
• Compounds Which Modulate The CB2 Receptor
  申请人：Berry Angela

  公开号：US20100009964A1

  公开（公告）日：2010-01-14

  Compounds of formula (I) are disclosed. Compounds according to the and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating pain.

  公式（I）的化合物已被披露。根据该公式的化合物对治疗炎症有用。那些是激动剂的化合物还额外适用于治疗疼痛。