间氨基苯磺酰胺 | 98-18-0

• 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: 间氨基苯磺酰胺
• 中文别名: 3-氨基苯磺酰胺；3-氨基苯磺胺；3-氨基苯-1-磺酰胺
• 英文名称: m-aminobenzenesulfonamide
• 英文别名: metanilamide；3-aminobenzenesulfonamide；3-aminobenzene-1-sulfonamide
• CAS: 98-18-0
• 化学式: C₆H₈N₂O₂S
• mdl: MFCD00035781
• 分子量: 172.208
• InChiKey: JPVKCHIPRSQDKL-UHFFFAOYSA-N

物化性质

• 熔点：
  139 °C
• 沸点：
  420.7±47.0 °C(Predicted)
• 密度：
  1.303 (estimate)
• 稳定性/保质期：
  避免与氧化剂接触。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  11
• 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：
  94.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2935009090
• 危险品运输编号：
  NONH for all modes of transport
• RTECS号：
  OY2200000
• 储存条件：
  储存于阴凉、通风的库房，远离火种、热源，防止阳光直射，保持容器密封。应与氧化剂分开存放，切忌混储，并配备相应品种和数量的消防器材。储区应备有泄漏应急处理设备和合适的收容材料。

SDS

Name:	3-Aminobenzene-1-sulfonamide 97% Material Safety Data Sheet
Synonym:
CAS:	98-18-0

Section 1 - Chemical Product MSDS Name:3-Aminobenzene-1-sulfonamide 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
98-18-0	3-Aminobenzene-1-sulfonamide	97%	202-646-0

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 98-18-0: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 140 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H8N2O2S
Molecular Weight: 172

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to air.
Incompatibilities with Other Materials:
Acids, oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide, ammonia.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 98-18-0: OY2200000 LD50/LC50:
Not available.
Carcinogenicity:
3-Aminobenzene-1-sulfonamide - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 98-18-0: 1
Canada
CAS# 98-18-0 is listed on Canada's NDSL List.
CAS# 98-18-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 98-18-0 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

制备步骤 步骤a：3-硝基苯基磺酰胺的合成

将4.71克（20毫摩尔）3-硝基苯基磺酰氯溶解于20毫升乙腈中，然后向其中加入饱和碳酸铵的浓氨水（20毫升），并剧烈搅拌1小时。室温下反应完成后，蒸发掉乙腈，用20毫升冷水稀释残余物，产生沉淀。滤出沉淀，并用水（共两次，每次5毫升）和乙醚洗涤后减压干燥。得到3-硝基苯基磺酰胺3.5克，产率80%。

步骤b：间氨基苯磺酰胺的合成

将3.5克（16毫摩尔）3-硝基苯甲磺酰胺溶解在含0.5克阮内镍的20毫升甲醇中，在50℃及70PSI氢压下进行4小时的氢化反应。过滤出催化剂，用温热甲醇洗涤后合并滤液并蒸发，最终得到间氨基苯磺酰胺2.83克，产率95%。

用途

用作有机合成中间体

反应信息

• 作为反应物：
  描述：

  间氨基苯磺酰胺 在 硫酸 、 水 、 硝酸 、 铁粉 、 sodium nitrite 作用下， 生成 4-氨基-3-羟基苯磺酰胺
  参考文献：
  名称：

  356. benz-1：2：4-thiadiazine 1：1-dioxide的衍生物

  摘要：

  DOI：

  10.1039/jr9500001760
• 作为产物：
  描述：

  3-硝基苯磺酰氯 在 palladium on activated charcoal 、 氨 、 氢气 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 间氨基苯磺酰胺
  参考文献：
  名称：

  发现了一系列5,11-二氢-6 H-苯并[ e ]嘧啶[5,4- b ] [1,4]二氮杂-6-酮类作为选择性PI3K-δ/γ抑制剂

  摘要：

  PI3K-δ和PI3K-γ的双重抑制是血液恶性肿瘤的既定治疗策略。报道的选择性靶向PI3K-δ/γ的分子在化学上是相似的，并且基于异喹啉-1（2 H）-one或喹唑啉-4（3 H）-one支架。在这里，我们报告了基于5,11-二氢-6 H-苯并[ e ]嘧啶[5,4- b ] [1,4]二氮杂-6-的一系列有效的，选择性的PI3K-δ/γ抑制剂一种支架具有可比的生化效能和对PI3K信号传导的细胞作用。我们设想这些分子将为开发下一代PI3K-δ/γ靶向治疗剂提供有用的线索。

  DOI：

  10.1021/acsmedchemlett.6b00209

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• [EN] THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE<br/>[FR] DÉRIVÉS DE THIOPHÈNE POUR LE TRAITEMENT DE TROUBLES PROVOQUÉS PAR IGE
  申请人：UCB BIOPHARMA SRL

  公开号：WO2019243550A1

  公开（公告）日：2019-12-26

  Thiophene derivatives of formula (I) and a pharmaceutically acceptable salt thereof are provided. These compounds have utility for the treatment or prevention of disorders caused by IgE, such as allergy, type 1 hypersensitivity or familiar sinus inflammation.

  提供了公式（I）的噻吩衍生物及其药用可接受的盐。这些化合物对于治疗或预防由IgE引起的疾病具有用途，如过敏、1型超敏反应或家族性鼻窦炎。
• COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES
  申请人：Van Goor Fredrick F.

  公开号：US20110098311A1

  公开（公告）日：2011-04-28

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及包含上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• N,N’-双取代芳基硫脲衍生物及其合成方法 和应用
  申请人：西安交通大学

  公开号：CN106543077B

  公开（公告）日：2019-08-23

  本发明公开了一类N,N’‑双取代芳基硫脲衍生物，是一系列同时含有各种取代芳环结构和不对称取代硫脲结构的化合物，均为未见文献报道的新型结构化合物。本发明通过对所有目标化合物的生物活性测试分析包括DPPH抗氧化活性、抗病毒活性测定。结果表明，总之，本专利所设计合成的化合物结构新颖，其抗氧化活性和抗病毒活性首次被揭示。另外有望还有未知的生物活性未充分阐明，可为进一步新药研发提供一定物质基础。
• [EN] PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES<br/>[FR] COMPOSES PYRROLIQUES DESTINES AU TRAITEMENT DE MALADIES INDUITES PAR PROSTAGLANDINE
  申请人：GLAXO GROUP LTD

  公开号：WO2003101959A1

  公开（公告）日：2003-12-11

  Compounds of formula (I) or a pharmaceutically acceptable derivative thereof: wherein A, R1, R2a, R2b, Rx, R8, and R9 are as defined in the specification, a process for the preparation of such compounds, pharmaceutical compositions comprising such compounds and the use of such compounds in medicine, in particular their use in the treatment of prostaglandin mediated diseases such as pain, inflammatory, immunological, bone, neurodegenerative or renal disorder.

  式(I)的化合物或其药学上可接受的衍生物：其中A、R1、R2a、R2b、Rx、R8和R9如规范中所定义，一种制备这种化合物的方法，包括这种化合物的药物组合物以及这种化合物在医学中的用途，特别是它们在治疗前列腺素介导的疾病，如疼痛、炎症、免疫、骨骼、神经退行性或肾脏疾病中的用途。

表征谱图