N-(2-羟基乙基)-2-硝基苯磺酰胺 | 18226-11-4

• 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-(2-羟基乙基)-2-硝基苯磺酰胺
• 英文名称: N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
• CAS: 18226-11-4
• 化学式: C₈H₁₀N₂O₅S
• mdl: MFCD00458943
• 分子量: 246.244
• InChiKey: UUFFUHLKZMSVPW-UHFFFAOYSA-N

物化性质

• 熔点：
  83-85°
• 沸点：
  462.2±55.0 °C(Predicted)
• 密度：
  1.484±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2935009090
• 储存条件：
  | 室温 |

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-(2-Hydroxyethyl)-2-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: N-(2-Hydroxyethyl)-2-nitrobenzenesulfonamide
CAS number: 18226-11-4

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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: C8H10N2O5S
Molecular weight: 246.2

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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：

  N-(2-羟基乙基)-2-硝基苯磺酰胺 在 三乙胺 、 potassium hydroxide 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 3.0h， 生成 1-[(2-Nitrophenyl)sulfonyl]aziridine
  参考文献：
  名称：

  CBL0137 的生理目标和作用模式，人类非洲锥虫病药物开发的先导者

  摘要：

  CBL0137 是治疗由布氏锥虫引起的人类非洲锥虫病的主要药物。在此，我们使用四步策略来 1) 识别生理靶标，2) 确定 CBL0137 在锥虫中的分子作用模式。首先，我们使用亲和层析鉴定了 14 种 CBL0137 结合蛋白。其次，我们以 CBL0137 结合蛋白的预测功能为指导，提出了分子作用模式的假设。第三，我们记录了 CBL0137 对锥虫分子途径的影响。第四，我们通过敲低编码 CBL0137 结合蛋白的基因，并将其分子效应与用 CBL0137 处理锥虫时获得的分子效应进行比较，确定了该药物的生理靶点。CBL0137结合蛋白包括糖酵解酶（醛缩酶、3-磷酸甘油醛脱氢酶、磷酸果糖激酶、磷酸甘油酸激酶）和DNA结合蛋白[通用小环序列结合蛋白2、复制蛋白A1 (RPA1)、复制蛋白A2 (RPA2)]。在化学生物学研究中，CBL0137 不会降低锥虫中的 ATP 水平，从而排除了糖酵解酶作为该药物的关键靶点的可能性。因此，许多

  DOI：

  10.1124/molpharm.121.000430
• 作为产物：
  描述：

  1,1'-[9-(2-Aminoethyl)-9H-carbazole-3,6-diyl]diethanone 在 碳酸氢钠 作用下， 以 氘代丙酮 、 二氯甲烷 为溶剂， 生成 N-(2-羟基乙基)-2-硝基苯磺酰胺
  参考文献：
  名称：

  Carbazole compounds and therapeutic uses of the compounds

  摘要：

  通用结构式（I）和（II）的化合物以及这些化合物及其盐和水合物的用途作为治疗剂被披露。可治疗的疾病和症状包括癌症、炎症性疾病和症状，以及免疫功能缺陷疾病。 (I), (II).

  公开号：

  US09108916B2

文献信息

• Electrochemical Intramolecular Oxytrifluoromethylation of <i>N</i>-Tethered Alkenyl Alcohols: Synthesis of Functionalized Morpholines
  作者：Aurélie Claraz、Thibaut Courant、Géraldine Masson

  DOI：10.1021/acs.orglett.0c00176

  日期：2020.2.21

  oxytrifluoromethylation of N-tethered alkenyl alcohols was developed providing straightforward access to CF3-containing morpholines derivatives. The method features mild reaction conditions with direct anodic oxidation of Langlois reagent as a cheap and easy to handle trifluoromethylating reagent. Variously substituted 2-(2,2,2-trifluoroethyl)morpholines were obtained in moderate to high yields under constant

  已开发出N系链烯基醇的电化学分子内氧三氟甲基化，可直接使用含CF3的吗啉衍生物。该方法的特点是反应条件温和，郎格氏试剂直接阳极氧化，是一种廉价且易于操作的三氟甲基化试剂。在不分隔的电池中，在恒定电流下电解以中等至高产率获得了各种取代的2-（2,2,2-三氟乙基）吗啉。
• [EN] ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF<br/>[FR] DÉRIVÉS ANTICANCÉREUX, LEUR SYNTHÈSE ET LEURS APPLICATIONS THÉRAPEUTIQUES
  申请人：SANOFI SA

  公开号：WO2012014147A1

  公开（公告）日：2012-02-02

  The present invention relates to conjugales of pyrrolo[1,4]benzodiazepine (PBD) dimers, to compositions containing them and to their therapeutic use, especially as anticancer agents. The invention also relates to the process for preparing the conjugates and to their use as anticancer agents, and also to the dimers themselves. Formula (I) in which : represents a single bond or a double bond.

  本发明涉及吡咯并[1,4]苯并二氮杂环己烷（PBD）二聚体的共轭物，包含它们的组合物以及它们的治疗用途，特别是作为抗癌剂。该发明还涉及制备这些共轭物的方法以及它们作为抗癌剂的用途，还涉及这些二聚体本身。公式（I）中：表示单键或双键。
• ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF
  申请人：SANOFI

  公开号：US20130137659A1

  公开（公告）日：2013-05-30

  Provided herein are compounds of formula (I):

  本文提供的是式(I)的化合物：
• pH-Responsive near-infrared fluorescent cyanine dyes for molecular imaging based on pH sensing
  作者：Koji Miki、Kentaro Kojima、Kazuaki Oride、Hiroshi Harada、Akiyo Morinibu、Kouichi Ohe

  DOI：10.1039/c7cc03035e

  日期：——

  Indocyanine green (ICG) derivatives having nucleophilic substituents were synthesized as pH-responsive near-infrared dyes. pH-responsive dyes 1-C with closed-ring structures smoothly internalized and converted to emissive open-ring structures 1-O in response to relatively low pHs in acidic intracellular compartments of HeLa cells.

  具有亲核取代基的吲哚菁绿（ICG）衍生物被合成为pH响应的近红外染料。具有响应性的闭环结构的pH响应染料1-C平滑地内在化，并响应HeLa细胞的酸性细胞内区室中相对较低的pH值而转变为发光的开环结构1-O。
• A modular lead-oriented synthesis of diverse piperazine, 1,4-diazepane and 1,5-diazocane scaffolds
  作者：Thomas James、Paul MacLellan、George M. Burslem、Iain Simpson、J. Andrew Grant、Stuart Warriner、Visuvanathar Sridharan、Adam Nelson

  DOI：10.1039/c3ob42512f

  日期：——

  A modular synthetic approach is described in which combinations of cyclic sulfamidate and hydroxy sulfonamide building blocks may be converted into piperazine, 1,4-diazepine and 1,5-diazocane scaffolds.

  描述了一种模块化合成方法，其中环状磺胺酸酯和羟基磺胺酰胺构建块的组合可以转化为哌嗪、1,4-二氮杂环庚烷和1,5-二氮杂环康烷骨架。