N-环丙基-3-硝基苯磺酰胺 | 401589-92-2

• 物质功能分类: 原料药 - 人工合成抗感染类药 - 磺胺类药及增效剂
• 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-环丙基-3-硝基苯磺酰胺
• 中文别名: N-环丙基3-硝基苯磺酰胺
• 英文名称: N-cyclopropyl-3-nitrobenzenesulfonamide
• 英文别名: N-Cyclopropyl 3-nitrobenzenesulfonamide
• CAS: 401589-92-2
• 化学式: C₉H₁₀N₂O₄S
• mdl: MFCD03015521
• 分子量: 242.255
• InChiKey: MHHCAIGIVXSRPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  5

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
N-Cyclopropyl 3-nitrobenzenesulfonamide
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P302+P352: IF ON SKIN: Wash with soap and water
P321: Specific treatment (see on this label)
P405: Store locked up

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Section 3. Composition/information on ingredients.
N-Cyclopropyl 3-nitrobenzenesulfonamide
Ingredient name:
CAS number: 401589-92-2

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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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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.

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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: C9H10N2O4S
Molecular weight: 242.3

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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-环丙基-3-硝基苯磺酰胺 在 palladium on activated charcoal 、 肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以96%的产率得到N-环丙基-3-氨基苯磺酰胺
  参考文献：
  名称：

  [EN] POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS
  [FR] PUISSANTS DOUBLES INHIBITEURS DE BRD4 ET DE KINASE À UTILISER EN TANT QU'AGENTS THÉRAPEUTIQUES ANTICANCÉREUX

  摘要：

  本文披露了一些抑制BRD4的化合物及其在癌症治疗中的应用。还披露了筛选BRD4选择性抑制剂的方法。在某些方面，披露了Formula I-IV的化合物。

  公开号：

  WO2016022460A1
• 作为产物：
  描述：

  环丙胺 、 3-硝基苯磺酰氯 以 四氢呋喃 为溶剂， 反应 0.5h， 以89%的产率得到N-环丙基-3-硝基苯磺酰胺
  参考文献：
  名称：

  [EN] POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS
  [FR] PUISSANTS DOUBLES INHIBITEURS DE BRD4 ET DE KINASE À UTILISER EN TANT QU'AGENTS THÉRAPEUTIQUES ANTICANCÉREUX

  摘要：

  本文披露了一些抑制BRD4的化合物及其在癌症治疗中的应用。还披露了筛选BRD4选择性抑制剂的方法。在某些方面，披露了Formula I-IV的化合物。

  公开号：

  WO2016022460A1

文献信息

• [EN] BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS<br/>[FR] INHIBITEURS DE BRD4-KINASE À UTILISER EN TANT QU'AGENTS THÉRAPEUTIQUES ANTICANCÉREUX
  申请人：H LEE MOFFITT CANCER CENTER & RES INST INC

  公开号：WO2017066428A1

  公开（公告）日：2017-04-20

  Disclosed herein are compounds that are inhibitors of BDR4 and their use in the treatment of cancer. Methods of screening for selective inhibitors of BDR4 are also disclosed. In certain aspects, disclosed are compounds of Formula I through IV.

  本文披露了一些抑制BDR4的化合物及其在癌症治疗中的应用。还披露了筛选BDR4选择性抑制剂的方法。在某些方面，披露了公式I至IV的化合物。
• BRD4-kinase inhibitors as cancer therapeutics
  申请人：H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

  公开号：US10738016B2

  公开（公告）日：2020-08-11

  Disclosed herein are compounds that are inhibitors of BDR4 and their use in the treatment of cancer. Methods of screening for selective inhibitors of BDR4 are also disclosed. In certain aspects, disclosed are compounds of Formula I through IV.

  本文公开了作为 BDR4 抑制剂的化合物及其在治疗癌症中的用途。还公开了筛选 BDR4 选择性抑制剂的方法。在某些方面，公开了式I至式IV的化合物。
• NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1382603B1

  公开（公告）日：2008-07-23
• WO2020168149A5
  申请人：——

  公开号：WO2020168149A5

  公开（公告）日：2022-12-20
• SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP3924333A1

  公开（公告）日：2021-12-22