4-(2,2,2-三氟乙氧基)苯胺 | 57946-61-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-(2,2,2-三氟乙氧基)苯胺
• 英文名称: 4-(2,2,2,-trifluoroethoxy)aniline
• 英文别名: p-(2,2,2-trifluoroethoxy)-aniline；4-(2,2,2-Trifluoroethoxy)aniline
• CAS: 57946-61-9
• 化学式: C₈H₈F₃NO
• mdl: MFCD00077606
• 分子量: 191.153
• InChiKey: OXFDNUZWKFKMSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2922299090
• 储存条件：
  存储条件：2-8°C，密封于干燥处。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(2,2,2-trifluoroethoxy)aniline
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H317: May cause an allergic skin reaction
P280: Wear protective gloves/protective clothing/eye protection/face protection

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Section 3. Composition/information on ingredients.
Ingredient name: 4-(2,2,2-trifluoroethoxy)aniline
CAS number: 57946-61-9

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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, refrigerated.

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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: C8H8F3NO
Molecular weight: 191.2

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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, hydrogen fluoride.

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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-(2,2,2-三氟乙氧基)苯胺 在 氢溴酸 、 copper(I) bromide 、 sodium nitrite 作用下， 生成 1-溴-4-(2,2,2-三氟乙氧基)苯
  参考文献：
  名称：

  Emsley, James W.; Celebre, Giorgio; Luca, Giuseppina De, Gazzetta Chimica Italiana, 1996, vol. 126, # 7, p. 429 - 434

  摘要：

  DOI：
• 作为产物：
  描述：

  对氟硝基苯 在 铁粉 、 potassium carbonate 、 溶剂黄146 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 4-(2,2,2-三氟乙氧基)苯胺
  参考文献：
  名称：

  6-氨基[1,2,5]恶二唑并[3,4-b]吡嗪-5-醇衍生物作为非酒精性脂肪性肝炎 STAM 小鼠模型中有效的线粒体解偶联剂。

  摘要：

  小分子线粒体解偶联剂最近因其在治疗非酒精性脂肪性肝炎（NASH）方面的潜力而引起了人们的极大兴趣。在这项研究中，我们报告了 6-氨基[1,2,5]恶二唑并[3,4- b ]pyrazin-5-ol 核心的结构-活性关系分析，该核心利用羟基部分作为跨膜的质子转运蛋白。线粒体内膜。我们证明，这种新型支架可以耐受多种取代基，该支架可以通过耗氧率的变化作为读数来增加体外细胞代谢率。特别是，化合物SHS4121705 ( 12i ) 在 L6 成肌细胞中表现出 4.3 μM 的 EC 50 ，并且在小鼠中表现出优异的口服生物利用度和肝脏暴露。在 NASH 的 STAM 小鼠模型中，给予 25 mg kg –1天–1的12i降低了肝脏甘油三酯水平，并改善了肝脏标志物，如丙氨酸氨基转移酶、NAFLD 活动评分和纤维化。重要的是，没有观察到体温或食物摄入量的变化。作为 NASH 的潜在治疗方法，线粒体解偶联剂显示出未来发展的前景。

  DOI：

  10.1021/acs.jmedchem.0c00542

文献信息

• NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES
  申请人：Ackermann Jean

  公开号：US20110065707A1

  公开（公告）日：2011-03-17

  The present invention relates to compounds of formula (I) as well as pharmaceutically acceptable salts thereof, wherein A 1 , A 2 , R 1 , R 2 , R 3 , R 4 , R 5 and R 6 have the significance given herein.

  本发明涉及式(I)的化合物以及其药学上可接受的盐，其中A1、A2、R1、R2、R3、R4、R5和R6具有本文中给出的含义。
• [EN] HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES<br/>[FR] INHIBITEURS DE HSL UTILES DANS LE TRAITEMENT DU DIABÈTE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011029808A1

  公开（公告）日：2011-03-17

  Compounds of formula (I), as well as pharmaceutically acceptable salts thereof can be used in the form of pharmaceutical compositions, wherein A1, A2, R1,R2 R3,R4 R5 and R6 have the significance given in claim 1. Objects of the present invention are the compounds of formula (I) and their aforementioned salts and esters and their use as therapeutically active substances, a process for the manufacture of the said compounds, intermediates, pharmaceutical compositions, medicaments containing the said compounds, their pharmaceutically acceptable salts or esters, the use of the said compounds, salts or esters for the treatment or prophylaxis of illnesses, especially in the treatment or prophylaxis of diabetes, metabolic syndrome, dyslipidemia, atherosclerosis or obesity and the use of the said compounds, salts or esters for the production of medicaments for the treatment or prophylaxis of diabetes, metabolic syndrome, dyslipidemia, atherosclerosis or obesity.

  化合物的化学式（I），以及其药学上可接受的盐可以用作药物组合物的形式，其中A1，A2，R1，R2，R3，R4，R5和R6具有权利要求1中给定的含义。本发明的目的是化学式（I）的化合物及其上述的盐和酯，以及它们作为治疗活性物质的用途，制造所述化合物的方法，中间体，含有所述化合物的药物组合物，含有所述化合物、其药学上可接受的盐或酯的药物，所述化合物、盐或酯的用途用于治疗或预防疾病，特别是用于治疗或预防糖尿病、代谢综合征、血脂异常、动脉粥样硬化或肥胖症，以及所述化合物、盐或酯的用途用于生产用于治疗或预防糖尿病、代谢综合征、血脂异常、动脉粥样硬化或肥胖症的药物。
• [EN] TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF<br/>[FR] INHIBITEURS DE LA KINASE TRKA, COMPOSITIONS EN CONTENANT ET MÉTHODES ASSOCIÉES
  申请人：MERCK SHARP & DOHME

  公开号：WO2013009582A1

  公开（公告）日：2013-01-17

  The present invention is directed to compounds of formula I and la: which are tropomyosin-related kinase (Trk) family protein kinase inhibitors, and hence are useful in the treatment of pain, inflammation, cancer, restenosis, atherosclerosis, psoriasis, thrombosis, a disease, disorder, injury, or malfunction relating to dysmyelination or demyelination or a disease or disorder associated with abnormal activities of nerve growth factor (NGF) receptor TrkA.

  本发明涉及式I和la化合物，它们是原肌球蛋白相关激酶（Trk）家族蛋白激酶抑制剂，因此可用于治疗疼痛、炎症、癌症、再狭窄、动脉粥样硬化、银屑病、血栓形成、与脱髓鞘或髓鞘形成障碍相关的疾病、紊乱、损伤或功能障碍，或与神经生长因子（NGF）受体TrkA异常活性相关的疾病或紊乱。
• [EN] 5-SULFAMOYL-2-HYDROXYBENZAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS DE 5-SULFAMOYL-2-HYDROXYBENZAMIDE
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2017153952A1

  公开（公告）日：2017-09-14

  The invention is directed to substituted salicylamide derivatives. Specifically, the invention is directed to compounds according to Formula (I): wherein R, R1 and R2 are as defined herein, or a pharmaceutically acceptable salt thereof. The compounds of the invention are inhibitors of CD73 and can be useful in the treatment of cancer, pre-cancerous syndromes and diseases associated with CD73 inhibition, such as AIDS, the treatment of HIV, autoimmune diseases, infections, atherosclerosis, and ischemia–reperfusion injury. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting CD73 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代水杨酰胺衍生物。具体而言，本发明涉及根据公式(I)的化合物：其中R、R1和R2如本文所述，或其药用可接受的盐。本发明的化合物是CD73的抑制剂，可用于治疗癌症、前癌症综合症以及与CD73抑制相关的疾病，例如艾滋病、治疗HIV、自身免疫疾病、感染、动脉粥样硬化和缺血再灌注损伤。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明还进一步涉及使用本发明化合物或包含本发明化合物的药物组合物来抑制CD73活性和治疗与之相关的疾病的方法。
• Novel substituted aromatic compounds
  申请人：Sandoz Ltd.

  公开号：US04968829A1

  公开（公告）日：1990-11-06

  Substituted phenoxy, phenylthio and anilino compounds, intermediates therefor, synthesis thereof, and their use for the control of pests.

  取代苯氧基、苯硫基和苯胺基化合物，其中间体，其合成以及它们用于控制害虫的用途。