4-溴-N-乙基-2-硝基苯胺 | 56136-82-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-溴-N-乙基-2-硝基苯胺
• 英文名称: 4-bromo-N-ethyl-2-nitroaniline
• CAS: 56136-82-4
• 化学式: C₈H₉BrN₂O₂
• mdl: MFCD00768959
• 分子量: 245.076
• InChiKey: VRIRIGHMWUIJSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 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：
  57.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2921420090
• 危险性防范说明：
  P264,P270,P301+P312,P330,P501
• 危险性描述：
  H302
• 储存条件：
  应存放在室温、密封、干燥、避光的环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-N-ethyl-2-nitroaniline
Synonyms: N-Ethyl 4-bromo-2-nitroaniline

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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-Bromo-N-ethyl-2-nitroaniline
CAS number: 56136-82-4

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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: C8H9BrN2O2
Molecular weight: 245.1

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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 bromide.

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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-溴-N-乙基-2-硝基苯胺 在 sodium dithionite 、 sodium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 水 、 氯苯 为溶剂， 反应 2.75h， 生成 5-bromo-1-ethyl-3H-1,3-benzodiazol-2-one
  参考文献：
  名称：

  硼酸盐辅助异羟肟酸催化对活细胞蛋白的修饰

  摘要：

  在活细胞中引入蛋白质翻译后修饰 (PTM) 的选择性方法已被证明对研究其生物学功能很有价值。与酶法相比，非生物催化应该提供对各种新自然 PTM 的访问。在此，我们报道了硼酸盐辅助的异羟肟酸（BAHA）催化剂体系，该体系由蛋白质配体、异羟肟酸路易斯碱和二醇部分组成。与带有硼酸的酰基供体配合，我们的催化剂利用局部摩尔浓度效应来促进酰基转移到目标赖氨酸残基。我们的催化剂系统采用微摩尔浓度的试剂，并提供最小的脱靶蛋白反应性。至关重要的是，BAHA 对谷胱甘肽具有抗性，谷胱甘肽是一种阻碍活细胞内非生物化学的许多努力的代谢物。在人体细胞中表达的大肠杆菌二氢叶酸还原酶。我们的结果进一步确立了众所周知的硼酸-二醇络合作为真正的生物正交反应，在化学生物学和细胞内催化中的应用。

  DOI：

  10.1021/jacs.1c07060
• 作为产物：
  描述：

  4-溴-1-氟-2-硝基苯 、 乙胺 以 乙醇 为溶剂， 反应 24.0h， 以71%的产率得到4-溴-N-乙基-2-硝基苯胺
  参考文献：
  名称：

  混合序列 DNA 的小沟结合亲和力和特异性中的复合形状效应

  摘要：

  结合在 DNA 双链体小沟中的特定杂环阳离子作为细胞和核染色剂以及作为可有效进入人体细胞的治疗剂取得了重大成功。扩大小沟化合物的 DNA 序列识别能力也可以扩大其治疗靶点，并在许多领域产生影响，例如转录因子生物活性的调节。使用 N-甲基苯并咪唑 (N-MeBI) 噻吩已成功设计出混合序列结合化合物，这些噻吩经过预先组织以适合 DNA 小沟的形状以及与投射的 G·C 碱基对的 -NH 上的氢键进入小凹槽。初始化合物在 AT 环境中与单个 G·C 碱基对强烈结合，特异性比率为 50 (KD AT-GC/KD AT) 或更低，这对于生物学用途来说有点低。我们认为，化合物形状的修饰可用于探测 DNA 目标混合碱基对序列中的局部 DNA 微观结构，并有可能提高化合物的结合选择性。通过增加苯并咪唑 N-取代基的大小（例如，使用 N-异丁基代替 N-Me）以及通过在化合物芳香核上的特定位置引入取代来改变

  DOI：

  10.1021/jacs.8b08152

文献信息

• [EN] HETEROCYCLIC KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE HÉTÉROCYCLIQUES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2016022312A1

  公开（公告）日：2016-02-11

  The present disclosure is generally directed to compounds which can inhibit AAK1 (adaptor associated kinase 1), compositions comprising such compounds, and methods for inhibiting AAK1.

  本公开内容通常涉及能够抑制AAK1（适配器相关激酶1）的化合物、包含该化合物的组合物以及抑制AAK1的方法。
• Condensed derivatives of imidazole useful as pharmaceuticals
  申请人：LABORATOIRE BIODIM

  公开号：EP2913330A1

  公开（公告）日：2015-09-02

  The invention relates to the compounds (I) and their acids and bases salts: wherein: the dotted line indicates a double bond; X is N or C-R1 and Y is N or C-R2, X and Y not being simultaneously N; A is selected from the group consisting of phenyl, naphthyl and (5-11) membered monocyclic or bicyclic unsaturated cycle or heterocycle possibly substituted as defined in the application, and A can also comprise either a further (4-7) membered heterocycle, said heterocycle being a monocycle, fused, saturated or unsaturated, the polycyclic system then comprising up to 14 members and up to 5 heteroatoms selected from N, O and S; B is Hydrogen or a substituent as defined in the application, or B is a (4-10) membered mono or bicyclic saturated or unsaturated heterocycle containing 1-3 heteroatoms selected from N, O and S, and possibly substituted as defined in the application; B not being Hydrogen when X is N and Y is C-R2; R1 is Hydrogen or a substituent as defined in the application; B and R1 cannot be simultaneously Hydrogen; R2 is Hydrogen or Halogen; their preparation, their use in the antibacterial prevention and therapy, alone or in association with antibacterials, antivirulence agents or drugs reinforcing the host innate immunity, and pharmaceutical compositions and associations containing them.

  该发明涉及化合物（I）及其酸盐和碱盐： 其中： 虚线表示双键； X为N或C-R1，Y为N或C-R2，X和Y不同时为N； A选自苯基、萘基和（5-11）成员单环或双环不饱和环或杂环，可能按申请中定义进行取代， A还可以包括另一个（4-7）成员杂环，该杂环为单环、融合、饱和或不饱和，多环系统则包括最多14个成员和最多5个N、O和S中选择的杂原子； B为氢或按申请中定义的取代基，或 B为含有1-3个N、O和S中选择的杂原子的（4-10）成员单环或双环饱和或不饱和杂环，并可能按申请中定义进行取代； 当X为N且Y为C-R2时，B不是氢； R1为氢或按申请中定义的取代基； B和R1不能同时为氢； R2为氢或卤素； 它们的制备，它们在抗菌预防和治疗中的用途，单独或与抗菌药物、抗毒力剂或增强宿主先天免疫力的药物联合使用，以及含有它们的药物组合物和联合物。
• [EN] INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES<br/>[FR] INHIBITEURS DES KINASES RÉCEPTRICES DU FACTEUR DE CROISSANCE DES FIBROBLASTES
  申请人：KINNATE BIOPHARMA INC

  公开号：WO2021247969A1

  公开（公告）日：2021-12-09

  Provided herein are heteroaryl inhibitors of fibroblast growth factor receptor kinases, pharmaceutical compositions comprising said compounds, and methods for using said compounds for the treatment of diseases.

  提供了一种杂芳基的成纤维细胞生长因子受体激酶抑制剂，包括所述化合物的药物组合物，以及使用所述化合物治疗疾病的方法。
• Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors
  申请人：Buck A. Elizabeth

  公开号：US20070280928A1

  公开（公告）日：2007-12-06

  The present invention provides a method for treating NSCL, pancreatic, colon or breast cancer tumors or tumor metastases in a patient, comprising administering to the patient simultaneously or sequentially a therapeutically effective amount of a combination of an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors, wherein the agent is an mTOR inhibitor, with or without additional agents or treatments, such as other anti-cancer drugs or radiation therapy. The present invention also provides a method for treating tumors or tumor metastases in a patient, comprising administering to said patient simultaneously or sequentially a therapeutically effective amount of a combination of an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors, wherein said agent is an mTOR inhibitor that binds to and directly inhibits both mTORC1 and mTORC2 kinases. The present invention also provides a pharmaceutical composition comprising an EGFR kinase inhibitor and an mTOR inhibitor that binds to and directly inhibits both mTORC1 and mTORC2 kinases, in a pharmaceutically acceptable carrier. A preferred example of an EGFR kinase inhibitor that can be used in practicing the methods of this invention is the compound erlotinib HCl (also known as TARCEVA®).

  本发明提供了一种治疗患者体内NSCL、胰腺、结肠或乳腺癌肿瘤或肿瘤转移的方法，包括向患者同时或顺序给予治疗有效量的EGFR激酶抑制剂和一种使肿瘤细胞对EGFR激酶抑制剂产生敏感性的药物的组合，其中该药物是mTOR抑制剂，可以附加其他药物或治疗，如其他抗癌药物或放射治疗。本发明还提供了一种治疗患者体内肿瘤或肿瘤转移的方法，包括向患者同时或顺序给予治疗有效量的EGFR激酶抑制剂和一种使肿瘤细胞对EGFR激酶抑制剂产生敏感性的药物的组合，其中该药物是一种能够结合并直接抑制mTORC1和mTORC2激酶的mTOR抑制剂。本发明还提供了一种制药组合物，包括一种能够结合并直接抑制mTORC1和mTORC2激酶的EGFR激酶抑制剂和mTOR抑制剂，以及一种药用载体。本发明中可用于实施该方法的EGFR激酶抑制剂的首选示例是化合物厄洛替尼盐酸盐（也称为TARCEVA®）。
• Fused bicyclic mTOR inhibitors
  申请人：Chen Xin

  公开号：US20070112005A1

  公开（公告）日：2007-05-17

  Compounds represented by Formula (I) or a pharmaceutically acceptable salt thereof, are inhibitors of mTOR and useful in the treatment of cancer.

  由化学式(I)代表的化合物或其药用可接受的盐，是mTOR的抑制剂，可用于癌症的治疗。