5-溴-2-甲氧基苯磺酰胺 | 23095-14-9

• 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: 5-溴-2-甲氧基苯磺酰胺
• 英文名称: 5-bromo-2-methoxybenzenesulfonamide
• 英文别名: 5-bromo-2-methoxy-benzenesulfonic acid amide；5-Brom-2-methoxy-benzolsulfonsaeure-amid；2-methoxy-5-bromo-phenylsulfonamide；5-Brom-2-methoxy-benzolsulfonsaeureamid
• CAS: 23095-14-9
• 化学式: C₇H₈BrNO₃S
• mdl: MFCD06808831
• 分子量: 266.115
• InChiKey: WHYIIAFUVXCXIL-UHFFFAOYSA-N

物化性质

• 熔点：
  151-153
• 沸点：
  420.3±55.0 °C(Predicted)
• 密度：
  1.678±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  77.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R22
• 海关编码：
  2935009090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-2-methoxybenzenesulfonamide
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: 5-Bromo-2-methoxybenzenesulfonamide
CAS number: 23095-14-9

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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: C7H8BrNO3S
Molecular weight: 266.1

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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, hydrogen bromide, 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：

  5-溴-2-甲氧基苯磺酰胺 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 10.0h， 以100%的产率得到2-甲氧基苯磺酰胺
  参考文献：
  名称：

  Novel N -Benzoyl-2-Hydroxybenzamide Disrupts Unique Parasite Secretory Pathway

  摘要：

  摘要 弓形虫 是一种原生动物寄生虫，可损害人的大脑和眼睛。目前尚无治疗药物。在此，我们将介绍我们发现的 N -苯甲酰基-2-羟基苯甲酰胺是一类在低纳摩尔范围内对弓形虫有效的化合物。 淋球菌 和 体内 .我们的先导化合物 QQ-437 对寄生虫具有很强的活性，可作为一种新的支架，用于开发新型和改良的冈底斯氏疟原虫抑制剂。 gondii .我们的全基因组调查揭示了一种对 N -苯甲酰基-2-羟基苯甲酰胺的抗性的特定机制，这种抗性是由分泌蛋白复合物中的一种大蛋白--适应素-3β介导的。 N -抗 N -苯甲酰基-2-羟基苯甲酰胺的克隆会改变其分泌途径，该途径会将蛋白质输送到微粒体、跳动体、致密颗粒和酸性钙化体/类植物液泡（PLVs）。 N N-苯甲酰基-2-羟基苯甲酰胺处理也会改变微粒、跳动体、致密颗粒的内容物，最明显的是酸性钙离子体/类植物液泡。此外，QQ-437 对耐氯喹的 恶性疟原虫 .我们的研究揭示了一类新型化合物，它能破坏淋病双球菌的独特分泌途径。 疟原虫的独特分泌途径。 我们的研究揭示了一类新型化合物，它能破坏淋病双球菌的独特分泌途径，有望用作寻找改良化合物的支架，以治疗由类人复合寄生虫引起的毁灭性疾病。

  DOI：

  10.1128/aac.06450-11
• 作为产物：
  描述：

  5-bromo-N-isopropyl-2-methoxybenzenesulfonamide 在 chromium acetate hydroxide 、 高碘酸 作用下， 以 乙腈 为溶剂， 反应 16.0h， 以93%的产率得到5-溴-2-甲氧基苯磺酰胺
  参考文献：
  名称：

  醋酸铬 (III) 催化过碘酸对 N-烷基磺酰胺和 N,N-二烷基磺酰胺的新型 N-脱烷基化反应

  摘要：

  已发现氢氧化铬 (III) 是 N-烷基磺酰胺和 N,N-二烷基磺酰胺的 N-脱烷基化的有效催化剂，可在室温下与乙腈中的高碘酸一起以良好至极好的收率提供磺酰胺。

  DOI：

  10.1055/s-2004-830851

文献信息

• Sulfonamide peri-substituted bicyclics for occlusive artery disease
  申请人：Singh Jasbir

  公开号：US20060079520A1

  公开（公告）日：2006-04-13

  Acyl sulfonamide, peri-substituted, fused bicyclic ring compounds useful for the treatment or prophylaxis of a prostaglandin-mediated disease or condition are disclosed. The compounds are of the general formula A representative example is:

  酰基磺酰胺，带有周取代的融合双环环化合物，用于治疗或预防前列腺素介导的疾病或症状。这些化合物的一般公式为 代表性示例是：
• [EN] MTH1 INHIBITORS FOR TREATMENT OF CANCER<br/>[FR] INHIBITEURS MTH1 POUR LE TRAITEMENT DU CANCER
  申请人：THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING

  公开号：WO2015187088A1

  公开（公告）日：2015-12-10

  A compound of formula I, (I) or a pharmaceutically-acceptable salt thereof. The compound is useful in the treatment of cancer.

  公式I的化合物(I)或其药用可接受的盐。该化合物在治疗癌症中很有用。
• [EN] PYRAZOLE-CONTAINING MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS<br/>[FR] INHIBITEURS DU FACTEUR INHIBITEUR DE MIGRATION DES MACROPHAGES CONTENANT DU PYRAZOLE
  申请人：UNIV YALE

  公开号：WO2019178480A1

  公开（公告）日：2019-09-19

  In one aspect, the invention comprises compounds that bind and inhibit macrophage migration inhibitory factor. In another aspect, the invention provides methods of treating inflammatory disease, neurological disorders and cancer using the compounds of the invention.

  在一个方面，该发明涉及结合并抑制巨噬细胞迁移抑制因子的化合物。在另一个方面，该发明提供使用该发明的化合物治疗炎症性疾病、神经系统疾病和癌症的方法。
• [EN] MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS<br/>[FR] INHIBITEURS DE MTH1 DESTINÉS AU TRAITEMENT DES ÉTATS INFLAMMATOIRES ET AUTO-IMMUNS
  申请人：THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING

  公开号：WO2015187089A1

  公开（公告）日：2015-12-10

  A compound of formula (I), or a pharmaceutically acceptable salt thereof, for use in the treatment of autoimmune diseases and inflammatory conditions.

  化合物的化学式（I），或其药学上可接受的盐，用于治疗自身免疫性疾病和炎症性疾病。
• Sulphonohydrazides and related compounds. Part XI. Some substituted aryl ether sulphonhydrazides
  作者：R. J. W. Cremlyn、R. Hornby

  DOI：10.1039/j39690001341

  日期：——

  In a search for new pest control agents, the following benzenesulphonohydrazides have been prepared: 5-chloro-2-methoxy-, 3-chloro-4-methoxy-, 2-chloro-4-methoxy, 3-bromo-4-methoxy-, 5-bromo-2-methoxy-, 2-bromo-4-methoxy-, 4-methoxy-3-nitro-, 3,4-dimethoxy-, 2,5-dimethoxy-, 2,4-dimethoxy-, 3-acetamido-4-methoxy-, and 5-acetamido-2-methoxy-, In addition, 4-N-sulhonylhydrazinophenylacetic acid, and 4-N-sulphonyl

  为了寻找新的害虫防治剂，制备了以下苯磺酰肼：5-氯-2-甲氧基-，3-氯-4-甲氧基-，2-氯-4-甲氧基，3-溴-4-甲氧基- ，5-溴-2-甲氧基-，2-溴-4-甲氧基-，4-甲氧基-3-硝基-，3,4-二甲氧基-，2,5-二甲氧基-，2,4-二甲氧基-，3乙酰氨基-4-甲氧基，和5-乙酰氨基-2-甲氧基- ，另外，4- ñ -sulhonylhydrazinophenylacetic酸，和4- ñ -磺酰基肼基-2-甲氧基苯氧基乙酸已经制备。酰肼已被转化为许多衍生物（例如，酰肼，叠氮化物）。