3-硝基-4-氨基苯磺酰胺 | 2360-19-2

• 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: 3-硝基-4-氨基苯磺酰胺
• 中文别名: 4-氨基-3-硝基-苯磺酰胺
• 英文名称: 4-amino-3-nitrobenzenesulfonamide
• 英文别名: 4‑amino‑3‑nitrobenzenesulfonamide；4-amino-3-nitro-benzenesulfonic acid amide；4-Amino-3-nitro-benzolsulfonsaeure-amid；4-Amino-3-nitro-phenylsulfonsaeureamid；4-Amino-3-nitro-benzolsulfonamid；4-Amino-3-nitrobenzol-sulfonamid
• CAS: 2360-19-2
• 化学式: C₆H₇N₃O₄S
• mdl: MFCD00116612
• 分子量: 217.205
• InChiKey: DZJCUJCWFQPICK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  140
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 海关编码：
  2935009090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Amino-3-nitrobenzenesulfonamide
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: 4-Amino-3-nitrobenzenesulfonamide
CAS number: 2360-19-2

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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: C6H7N3O4S
Molecular weight: 217.2

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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, 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：

  3-硝基-4-氨基苯磺酰胺 在 三乙胺 作用下， 以 四氢呋喃 、 ammonium hydroxide 、 乙醇 、 铂 为溶剂， 生成 1-Hydroxy-7-sulfamoylquinoxaline-2,3(1H,4H)-dione
  参考文献：
  名称：

  2,3-quinoxalinediones for use as neuroleptics

  摘要：

  具有以下公式的杂环二羟基喹喔啉化合物 ##STR1## 其中R.sup.1是羟基、烷氧基、芳氧基、芳基烷氧基、环烷基烷氧基、环烷氧基或酰氧基；而R.sup.5、R.sup.6、R.sup.7和R.sup.8独立地是氢、NO.sub.2、卤素CN、SO.sub.2 NR'R'、SO.sub.2 R'、CF.sub.3或OR'，其中R'是氢或C.sub.1-4-烷基。该发明还涉及制备这些化合物的方法、其药物组合物以及它们的用途。这些化合物在治疗由兴奋性神经递质过度活跃引起的症状方面很有用，特别是在quisqualate受体，尤其是作为神经阻滞剂方面。

  公开号：

  US05061706A1
• 作为产物：
  描述：

  3-硝基-4-氯苯磺酰胺 在 氨 作用下， 以3.9 g (85%)的产率得到3-硝基-4-氨基苯磺酰胺
  参考文献：
  名称：

  2,3-quinoxalinediones for use as neuroleptics

  摘要：

  具有以下公式的杂环二羟基喹喔啉化合物 ##STR1## 其中R.sup.1是羟基、烷氧基、芳氧基、芳基烷氧基、环烷基烷氧基、环烷氧基或酰氧基；而R.sup.5、R.sup.6、R.sup.7和R.sup.8独立地是氢、NO.sub.2、卤素CN、SO.sub.2 NR'R'、SO.sub.2 R'、CF.sub.3或OR'，其中R'是氢或C.sub.1-4-烷基。该发明还涉及制备这些化合物的方法、其药物组合物以及它们的用途。这些化合物在治疗由兴奋性神经递质过度活跃引起的症状方面很有用，特别是在quisqualate受体，尤其是作为神经阻滞剂方面。

  公开号：

  US05061706A1

文献信息

• Synthesis and Antistaphylococcal Activity of<i>N</i>-Substituted-1<i>H</i>-benzimidazole-sulphonamides
  作者：M. Orhan Püsküllü、Sulhiye Yıldız、Hakan Göker

  DOI：10.1002/ardp.200900199

  日期：2009.11.19

  evaluated for antibacterial activity against Staphylococcus aureus and methicillin‐resistant S. aureus (MRSA). Certain compounds inhibit bacterial growth with low MIC (μg/mL) values. The most active compounds 30, 31, and 32 have the lowest MIC values with 0.39 to 0.19 μg/mL. Among the compounds having sulfonamido moities, 16, 23, and 24 exhibited the strongest antibacterial activity with 1.56 μg/mL MIC values

  合成了一系列 N-取代-1H-苯并咪唑-5(6)-磺酰胺和 3-(5,6-二氯-1H-苯并咪唑-2-基)-N-取代苯磺酰胺并评估其对金黄色葡萄球菌的抗菌活性和耐甲氧西林金黄色葡萄球菌 (MRSA)。某些化合物以低 MIC (μg/mL) 值抑制细菌生长。活性最强的化合物 30、31 和 32 的 MIC 值最低，为 0.39 至 0.19 μg/mL。在具有磺酰氨基部分的化合物中，16、23 和 24 表现出最强的抗菌活性，MIC 值为 1.56 μg/mL。
• Benzimidazole derivatives as potent and isoform selective tumor-associated carbonic anhydrase IX/XII inhibitors
  作者：Azize Gizem Uslu、Tuğçe Gür Maz、Alessio Nocentini、Erden Banoglu、Claudiu T. Supuran、Burcu Çalışkan

  DOI：10.1016/j.bioorg.2019.103544

  日期：2020.1

  We describe the synthesis of a series of 2-arylbenzimidazole derivatives bearing sulfonamide functionality (4a-d, 7a-c and 10) as well as hydroxamic acid (15a-b), carboxylic acid (16a-b), carboxamide (17a-b) and boronic acid (22a-b and 26) functionalities, which act as human carbonic anhydrase (hCA, EC 4.2.1.1) inhibitors. The newly synthesized benzimidazole derivatives were evaluated against 4 physiologically

  我们描述了一系列带有磺酰胺官能团（4a-d，7a-c和10）以及异羟肟酸（15a-b），羧酸（16a-b），羧酰胺（17a-b）的2-芳基苯并咪唑衍生物的合成）和硼酸（22a-b和26）的功能，它们可作为人的碳酸酐酶（hCA，EC 4.2.1.1）抑制剂。对新合成的苯并咪唑衍生物针对4种生理相关的CA同工型（hCA I，II，IX和XII）进行了评估，尤其是含磺酰胺的苯并咪唑对KI的范围在KI值范围内的肿瘤相关CA IX和XII表现出令人感兴趣的抑制活性。分别为5.2-29.3 nM和9.9-41.7 nM。值得注意的是，化合物4c是最有效和选择性最高的CA IX（KI = 6.6 nM）和XII（KI = 9）。9 nM）抑制剂，相对于胞质CA I和II同工型具有显着的选择性比，范围在3.4-25.20之间。另外，具有KIX的微摩尔效价较低，具有异羟肟酸（15a-b）或羧酸（16a-b）官能度的化合物对CA
• Substituted benzenesulfonamides as anthelmintics
  申请人：Merck & Co., Inc.

  公开号：US03987199A1

  公开（公告）日：1976-10-19

  This invention relates to a novel method for the treatment of parasitic diseases and the compositions used in said treatment. More specifically this invention relates to benzenesulfonamides substituted at the 3, 4, and 5 positions of the benzene ring and to the use of such compounds for the treatment of mature and immature liver fluke infections.

  这项发明涉及一种治疗寄生虫病的新方法以及用于该治疗的组合物。更具体地，这项发明涉及对苯环的3、4和5位取代的苯磺酰胺，以及利用这些化合物治疗成熟和不成熟的肝吸虫感染。
• 一种抗病毒药物中间体4-氨基-3-硝基苯磺酰胺的合成方法
  申请人：南京哈柏医药科技有限公司

  公开号：CN112661677A

  公开（公告）日：2021-04-16

  本发明一种抗病毒药物中间体4‑氨基‑3‑硝基苯磺酰胺的合成方法，以4‑氟‑3‑硝基苯磺酰氯为主要原料，以乙腈为溶剂，室温环境下，经氨水胺化，一步法合成目标产物4‑氨基‑3‑硝基苯磺酰胺，中间体经氨水低温胺化后，得目标产品；本发明工艺原料简单易得，操作简单方便，合成条件较温和，具有良好的社会和经济效益。
• [EN] PROCESSES FOR THE PREPARATION OF AN APOPTOSIS-INDUCING AGENT<br/>[FR] PROCÉDÉS DE PRÉPARATION D'UN AGENT INDUISANT L'APOPTOSE
  申请人：ABBVIE INC

  公开号：WO2014165044A1

  公开（公告）日：2014-10-09

  Provided herein is a process for the preparation of an apoptosis- inducing agent (A1), and chemical intermediates thereof. Also provided herein are novel chemical intermediates related to the process provided herein.

  本文提供了制备诱导细胞凋亡剂(A1)及其化学中间体的过程。此外，本文还提供了与所提供过程相关的新型化学中间体。