N,N-二甲基-3-溴苯磺酰胺 | 153435-80-4

• 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,N-二甲基-3-溴苯磺酰胺
• 中文别名: 3-溴-N,N-二甲基苯磺酰胺
• 英文名称: 3-bromo-N,N-dimethylbenzenesulfonamide
• CAS: 153435-80-4
• 化学式: C₈H₁₀BrNO₂S
• mdl: MFCD07363826
• 分子量: 264.143
• InChiKey: RHBJVOGENJVLGT-UHFFFAOYSA-N

物化性质

• 熔点：
  74-78

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2935009090
• WGK Germany：
  3
• 危险性防范说明：
  P233,P260,P261,P264,P271,P280,P302+P352,P304,P304+P340,P305+P351+P338,P312,P321,P332+P313,P337+P313,P340,P362,P403,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存储条件：室温、干燥且密封。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N,N-Dimethyl 3-bromobenzenesulfonamide
Synonyms: N,N-Dimethyl 3-bromophenylsulfonamide

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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,N-Dimethyl 3-bromobenzenesulfonamide
CAS number: 153435-80-4

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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: C8H10BrNO2S
Molecular weight: 264.1

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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

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  N-甲基-3-溴苯磺酰胺	N-methyl-3-bromobenzenesulfonamide	153435-79-1	C7H8BrNO2S	250.116

反应信息

• 作为反应物：
  描述：

  N,N-二甲基-3-溴苯磺酰胺 在 N-甲基吲哚酮 、 四丙基高钌酸铵 、 叔丁基锂 作用下， 以 四氢呋喃 、 二氯甲烷 、 正戊烷 为溶剂， 反应 4.17h， 生成 3-(3-{2-[1-Methoxy-meth-(E)-ylidene]-cyclohexyl}-propionyl)-N,N-dimethyl-benzenesulfonamide
  参考文献：
  名称：

  Antimalarial sulfide, sulfone, and sulfonamide trioxanes

  摘要：

  A series of trioxanes featuring sulfide, sulfone. and sulfonamide snbstituents in diverse positions has been prepared. Structure-activity relationship (SAR) generalizations highlight two major factors controlling the antimalarial potency of these new chemical entities: (1) the proximity of the sulfur-containing substituent to the crucial peroxide bond and (2) the oxidation stale of the sulfur-containing substituent. Generally, sulfones are more antimalarially potent than the corresponding sulfides. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00079-1
• 作为产物：
  描述：

  3-溴苯磺酰氯 、 二甲胺 在 吡啶 作用下， 以95%的产率得到N,N-二甲基-3-溴苯磺酰胺
  参考文献：
  名称：

  选择性 PRMT4 抑制剂的合理设计和合成：开发癌症治疗的新化学型**

  摘要：

  蛋白质精氨酸N-甲基转移酶 4 (PRMT4) 不对称地二甲基化组蛋白 H3 和非组蛋白的精氨酸残基。PRMT4 在几种癌症中的过度表达激发了人们对发现抑制剂作为生物工具和潜在的治疗方法的兴趣。尽管已经报道了几种 PRMT4 抑制剂，但大多数对甲基转移酶 PRMT 家族的其他成员表现出较差的选择性。在此，我们报告了一类新的含丙氨酸 3-芳基吲哚作为有效和选择性 PRMT4 抑制剂的基于结构的设计，并描述了此类化合物的关键构效关系。

  DOI：

  10.1002/cmdc.202100018

文献信息

• [EN] HSD17B13 INHIBITORS AND USES THEREOF<br/>[FR] COMPOSÉS ET UTILISATIONS DE CEUX-CI
  申请人：INIPHARM INC

  公开号：WO2021211974A1

  公开（公告）日：2021-10-21

  Described herein are HSD17B13 inhibitors and pharmaceutical compositions comprising said inhibitors. The subject compounds and compositions are useful for the treatment of liver disease, metabolic disease, or cardiovascular disease, such as NAFLD or NASH, or drug induced liver injury (DILI).

  本发明涉及HSD17B13抑制剂及包含所述抑制剂的药物组合物。所述化合物和组合物可用于治疗肝病、代谢性疾病或心血管疾病，例如非酒精性脂肪肝病（NAFLD）或非酒精性脂肪肝炎（NASH），或药物诱导的肝损伤（DILI）。
• Structure-activity relationship studies for the development of inhibitors of murine adipose triglyceride lipase (ATGL)
  作者：Nicole Mayer、Martina Schweiger、Elisabeth Fuchs、Anna K. Migglautsch、Carina Doler、Gernot F. Grabner、Matthias Romauch、Michaela-Christina Melcher、Rudolf Zechner、Robert Zimmermann、Rolf Breinbauer

  DOI：10.1016/j.bmc.2020.115610

  日期：2020.8

  non-alcoholic fatty liver disease (NAFLD) generalized in the term metabolic syndrome. Adipose triglyceride lipase (ATGL) is the initial enzyme in the hydrolysis of intracellular triacylglycerol (TG) stores, liberating fatty acids that are released from adipocytes into the circulation. Hence, ATGL-specific inhibitors have the potential to lower circulating FA concentrations, and counteract the development of insulin

  高血清脂肪酸（FA）水平与胰岛素抵抗的发展存在因果关系，胰岛素抵抗最终发展为2型糖尿病和在代谢综合征中普遍存在的非酒精性脂肪肝疾病（NAFLD）。甘油三酸酯脂肪酶（ATGL）是细胞内三酰基甘油（TG）储存液水解的初始酶，可释放从脂肪细胞释放到循环中的脂肪酸。因此，ATGL特异性抑制剂具有降低循环FA浓度并抵消胰岛素抵抗和NAFLD发生的潜力。在本文中，我们报告了鼠ATGL的小分子抑制剂的结构-活性关系（SAR）研究，该研究导致Atglistatin的发展。Atglistatin是鼠ATGL的特异性抑制剂，
• [EN] ALKYNYL PHOSPHINE GOLD COMPLEXES FOR TREATING BACTERIAL INFECTIONS<br/>[FR] COMPLEXE ALCYNYLPHOSPHINE-OR POUR TRAITER LES INFECTIONS BACTÉRIENNES
  申请人：AUSPHERIX LTD

  公开号：WO2017093544A1

  公开（公告）日：2017-06-08

  A compound of formula (I) for use in the prevention or treatment of a bacterial infection.

  一种化合物，其化学式为（I），用于预防或治疗细菌感染。
• COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS
  申请人：Kossen Karl

  公开号：US20090318455A1

  公开（公告）日：2009-12-24

  Disclosed are compounds and methods for treating inflammatory and fibrotic disorders, including methods of modulating a stress activated protein kinase (SAPK) system with an active compound, wherein the active compound exhibits low potency for inhibition of the p38 MAPK; and wherein the contacting is conducted at a SAPK-modulating concentration that is at a low percentage inhibitory concentration for inhibition of the p38 MAPK by the compound. Also disclosed are derivatives and analogs of pirfenidone, useful for modulating a stress activated protein kinase (SAPK) system.

  公开了用于治疗炎症和纤维化疾病的化合物和方法，包括用活性化合物调节应激活化蛋白激酶（SAPK）系统的方法，其中活性化合物对p38 MAPK的抑制效力较低；并且其中接触是在SAPK调节浓度下进行的，该浓度对化合物抑制p38 MAPK的抑制浓度百分比较低。还公开了吡非尼酮的衍生物和类似物，它们可用于调节应激活化蛋白激酶（SAPK）系统。
• FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME
  申请人：YUHAN CORPORATION

  公开号：US20150191478A1

  公开（公告）日：2015-07-09

  The present invention provides a fused ring compound containing furan or a pharmaceutically acceptable salt thereof, a method for preparing same, a pharmaceutical composition comprising same, and a use thereof. The fused ring compound containing furan or a pharmaceutically acceptable salt thereof inhibits the activity of phosphatidylinositol 3-kinase (PI3K) and can therefore be used in a pharmaceutical composition for treating and preventing respiratory diseases, inflammatory diseases, proliferative diseases, cardiovascular diseases, or central nervous system diseases which occur due to the over-activation of PI3K.

  本发明提供一种含有呋喃或其药用可接受盐的融环化合物，以及制备该化合物的方法、包含该化合物的药物组合物和其用途。含有呋喃或其药用可接受盐的融环化合物抑制磷脂酰肌醇3-激酶（PI3K）的活性，因此可用于制备治疗和预防由于PI3K过度活化而引起的呼吸道疾病、炎症性疾病、增殖性疾病、心血管疾病或中枢神经系统疾病的药物组合物。