N-[4-(2-氨基-4-噻唑基)苯基]甲磺酰胺 | 476338-85-9

• 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: N-[4-(2-氨基-4-噻唑基)苯基]甲磺酰胺
• 中文别名: N-[4-(2-氨基-1,3-噻唑-4-基)苯基]甲磺酰胺
• 英文名称: N-(4-(2-aminothiazol-4-yl)phenyl)methanesulfonamide
• 英文别名: N-[4-(2-amino-thiazol-4-yl)-phenyl]-methanesulphonamide；N-[4-(2-amino-4-thiazolyl)phenyl]Methanesulfonamide；N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
• CAS: 476338-85-9
• 化学式: C₁₀H₁₁N₃O₂S₂
• mdl: MFCD01627908
• 分子量: 269.348
• InChiKey: VIZDVARUPDOMRC-UHFFFAOYSA-N

物化性质

• 沸点：
  498.7±47.0 °C(Predicted)
• 密度：
  1.494±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  6

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: N-[4-(2-Amino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
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: N-[4-(2-Amino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CAS number: 476338-85-9

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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: C10H11N3O2S2
Molecular weight: 269.3

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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：

  N-[4-(2-氨基-4-噻唑基)苯基]甲磺酰胺 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 48.0h， 生成 2-(4-(4-methanesulfonamidophenyl)thiazol-2-ylimino)thiazolidin-4-one
  参考文献：
  名称：

  设计，合成和生物筛选具有前景的COX-2选择性，抗炎活性和胃安全性的新型4-噻唑烷酮衍生物。

  摘要：

  设计并制备了两个系列的新的噻唑烷-4-酮衍生物4a-c和8a-e。评价所有合成的化合物的体外COX-2选择性和体内抗炎活性。与参考药物塞来昔布（SI = 7.29，3小时后水肿抑制％＝ 60）。此外，还评估了8c和8d的平均有效抗炎剂量（分别为ED50 = 27.7和18.1μmol/ kg，塞来昔布ED50 = 28.2μmol/ kg）和致溃疡性（致溃疡性潜力相对于celecoxib降低85％，92） ％ 分别。

  DOI：

  10.1016/j.bioorg.2015.11.001
• 作为产物：
  描述：

  N-[4-(2-bromoacetyl)phenyl]methanesulfonamide 、 硫脲 以 乙醇 为溶剂， 反应 1.0h， 生成 N-[4-(2-氨基-4-噻唑基)苯基]甲磺酰胺
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS
  [FR] COMPOSÉS HÉTÉROCYCLIQUES EN TANT QU'INHIBITEURS DE PHOSPHOINOSITIDE 3-KINASE DE CLASSE II

  摘要：

  本申请涉及式（1）化合物及其作为药物的用途，特别是用于治疗与缺陷PI3K信号传导相关的医疗状况。

  公开号：

  WO2019234237A1

文献信息

• Derivatives of urea and related diamines, methods for their manufacture, and uses therefor
  申请人：Deprez Pierre

  公开号：US20090054463A1

  公开（公告）日：2009-02-26

  The present invention relates generally to compounds represented in Formula I, pharmaceutical compositions comprising them and methods of treating of diseases or disorders related to the function of the calcium sensing receptor. The invention also relates to processes for making such compounds and to intermediates useful in these processes.

  本发明一般涉及代表式I的化合物、包含它们的药物组合物以及治疗与钙感受受体功能相关的疾病或障碍的方法。本发明还涉及制备此类化合物的方法以及在这些过程中有用的中间体。
• Urea Derivatives Methods For Their Manufacture And Uses Thereof
  申请人：DePrez Pierre

  公开号：US20100240889A1

  公开（公告）日：2010-09-23

  The present invention provides compounds of formula (I): in which R 1 , R′ 1 , R 2 , R′ 2 , R 3 , Y and G have the meanings given in the description, to a process for their preparation, their application by way of medicaments, and to pharmaceutical compositions containing them.

  本发明提供了式（I）的化合物：其中R1，R′1，R2，R′2，R3，Y和G具有描述中给出的含义，以及它们的制备过程，它们通过药物的方式应用，以及含有它们的制药组合物。
• UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR
  申请人：DEPREZ Pierre

  公开号：US20120283255A1

  公开（公告）日：2012-11-08

  The present invention provides compounds of formula (I): in which R 1 , R′ 1 , R 2 , R′ 2 , R 3 , and Y have the meanings given in the description, to a process for their preparation, their application by way of medicaments, and to pharmaceutical compositions containing them.

  本发明提供了公式（I）的化合物：其中R1，R′1，R2，R′2，R3和Y具有描述中给出的含义，以及它们的制备方法，通过药物的方式应用它们，以及包含它们的制药组合物。
• [EN] DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR<br/>[FR] DÉRIVÉS DE L'URÉE ET DE DIAMINES ASSOCIÉES, LEURS PROCÉDÉS DE FABRICATION, ET LEURS UTILISATIONS
  申请人：AMGEN INC

  公开号：WO2009009122A3

  公开（公告）日：2009-06-25
• UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE AND USES THEREOF
  申请人：Galapagos SAS

  公开号：EP1874765B1

  公开（公告）日：2012-03-07