2-甲基-5-(哌啶-1-磺酰基)-苯胺 | 100317-20-2

• 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: 2-甲基-5-(哌啶-1-磺酰基)-苯胺
• 英文名称: 2-Aminotoluol-4-sulfonpiperidid
• 英文别名: 2-Amino-toluol-4-sulfonsaeure-piperidid；1-(3-amino-4-methyl-benzenesulfonyl)-piperidine；2-Methyl-5-(piperidine-1-sulfonyl)-phenylamine；2-methyl-5-piperidin-1-ylsulfonylaniline
• CAS: 100317-20-2
• 化学式: C₁₂H₁₈N₂O₂S
• mdl: MFCD02706759
• 分子量: 254.353
• InChiKey: FIOVLCJDLOLZFG-UHFFFAOYSA-N

物化性质

• 沸点：
  435.5±55.0 °C(Predicted)
• 密度：
  1.250±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2935009090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Methyl-5-(piperidine-1-sulfonyl)-phenylamine
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-Methyl-5-(piperidine-1-sulfonyl)-phenylamine
CAS number: 100317-20-2

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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: C12H18N2O2S
Molecular weight: 254.4

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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-甲基-5-(哌啶-1-磺酰基)-苯胺 、 3,4-二氯苯乙酸 在 三乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以24.1 mg的产率得到2-(3,4-dichlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
  参考文献：
  名称：

  [EN] SUBSTITUTED 3-AMINO-4-METHYLBENZENESULFONAMIDES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28
  [FR] 3-AMINO-4-MÉTHYLBENZÈNESULFONAMIDES SUBSTITUÉS EN TANT QU'INHIBITEURS À PETITES MOLÉCULES DE LA PROTÉASE 28 SPÉCIFIQUE À L'UBIQUITINE

  摘要：

  本公开涉及式(I)的化合物或其药用可接受盐，以及包含该式(I)化合物的药物组合物。本组合物还涉及治疗与泛素特异性蛋白酶28（USP28）相关的疾病或紊乱的方法，治疗癌症的方法，以及抑制USP28的方法。

  公开号：

  WO2022035804A1
• 作为产物：
  描述：

  哌啶 、 4-甲基-3-硝基苯磺酰氯 在 三乙胺 、 铁粉 、 氯化铵 作用下， 以 二氯甲烷 、 乙醇 、 水 为溶剂， 反应 21.0h， 生成 2-甲基-5-(哌啶-1-磺酰基)-苯胺
  参考文献：
  名称：

  [EN] SUBSTITUTED 3-AMINO-4-METHYLBENZENESULFONAMIDES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28
  [FR] 3-AMINO-4-MÉTHYLBENZÈNESULFONAMIDES SUBSTITUÉS EN TANT QU'INHIBITEURS À PETITES MOLÉCULES DE LA PROTÉASE 28 SPÉCIFIQUE À L'UBIQUITINE

  摘要：

  本公开涉及式(I)的化合物或其药用可接受盐，以及包含该式(I)化合物的药物组合物。本组合物还涉及治疗与泛素特异性蛋白酶28（USP28）相关的疾病或紊乱的方法，治疗癌症的方法，以及抑制USP28的方法。

  公开号：

  WO2022035804A1

文献信息

• US4990523A
  申请人：——

  公开号：US4990523A

  公开（公告）日：1991-02-05
• [EN] TREATMENT OF CHRONIC INFLAMMATORY JOINT DISEASE WITH ARYLSULFONAMIDES
  申请人：——

  公开号：WO1990015600A2

  公开（公告）日：1990-12-27