2586-60-9

• 常用中文名：直接紫N
• 常用英文名：Direct Violet 1
• CAS号：2586-60-9
• 分子式：C₃₂H₂₂N₆Na₂O₈S₂
• 分子量：728.66200
• 相关类别： 染料及颜料 染料 直接染料
• 发布时间：2018-09-08 20:51:06
• 更新时间：2024-01-03 09:07:10
• Direct Violet 1 是一种偶氮染料,是一种纺织品染料。Direct Violet 1 还是一种 SARS-CoV-2 spike 蛋白与 ACE2 的蛋白-蛋白相互作用 (PPI) 的抑制剂,IC50 为 1.47-2.63 µM。

名称

• 中文名: 直接青莲N
• 英文名: chlorazol violet n
• 中文别名: 氯唑紫 N; 直接紫1; 直接紫N
• 英文别名: Violet N; Pontamine Violet N; cottonvioletr; directvioletc; diazolvioletn; DIAMINE VIOLET; DirectvioletN; benzovioletn; Erie Violet 3R; Dianil Violet H; Diamine Violet N; violetprima1; phenovioletn

物化性质

• 密度: 1.64g/cm3
• 分子式: C₃₂H₂₂N₆Na₂O₈S₂
• 分子量: 728.66200
• 精确质量: 728.07400
• PSA: 273.10000
• LogP: 10.19860
• 外观性状: 固体;Red to Dark blue to Black powder to crystal
• 折射率: 1.771
• 储存条件:

  密封于阴凉干燥环境。

• 稳定性:

  遇浓硫酸呈深蓝色，稀释后呈暗紫色。遇浓硝酸呈红棕色。对于纤维素纤维染色，染料吸尽性好，温度在100℃亲和力最大

• 分子结构:

  1、摩尔折射率：无可用

  2、 摩尔体积（cm³/mol）： 无可用

  3、 等张比容（90.2K）：无可用

  4、 表面张力（dyne/cm）：无可用

  5、 极化率：无可用

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：无可用

  2、 氢键供体数量：6

  3、 氢键受体数量：14

  4、 可旋转化学键数量：7

  5、 拓扑分子极性表面积（TPSA）：244

  6、 重原子数量：50

  7、 表面电荷：0

  8、 复杂度：1790

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：3

• 更多:

  1. 性状：红褐色粉末

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：无可用

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）： 无可用

  19. 溶解性：溶于水后呈深枣红色至紫色。也溶于溶纤素

生物活性

• 描述: Direct Violet 1 是一种偶氮染料,是一种纺织品染料。Direct Violet 1 还是一种 SARS-CoV-2 spike 蛋白与 ACE2 的蛋白-蛋白相互作用 (PPI) 的抑制剂,IC50 为 1.47-2.63 µM。
• 相关类别:
  研究领域 >> 感染
  信号通路 >> 抗感染 >> SARS冠状病毒
• 靶点:

  IC50: 1.47 µM (SARS-CoV-2-S-RBD binding to ACE2); 2.63 µM (SARS-CoV-S1S2 binding to ACE2); 2.11 µM (TNF-R1-TNFα binding)[1]

• 体外研究: 直接紫1抑制SARS-CoV-2-S-RBD与人ACE2结合,抑制SARS-CoV-S1S2与ACE2结合,抑制TNF-R1与TNF结合α IC50值为1.47µM、 2.63美元µM、 和2.11µM、 分别为[1]。直接紫1抑制SARS-CoV-2假病毒进入hACE2表达的宿主细胞呈浓度依赖性,IC50为35.8µM[1]。
• 参考文献:

  [1]. Damir Bojadzic, et al. Small-Molecule In Vitro Inhibitors of the Coronavirus Spike-ACE2 Protein-Protein Interaction as Blockers of Viral Attachment and Entry for SARS-CoV-2. bioRxiv, 2020 Oct 22.

  [2]. Wafaa M Abd El-Rahim, et al. Genotoxicity studies on the removal of a direct textile dye by a fungal strain, in vivo, using micronucleus and RAPD-PCR techniques on male rats. J Appl Toxicol. 2008 May;28(4):484-90.

MSDS

Chlorazol Violet N Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:Chlorazol Violet N Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDSNot classified Not classified ENVIRONMENTAL HAZARDS GHS label elements None Pictograms or hazard symbols Signal wordNo signal word None Hazard statement Precautionary statementsNone Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):Chlorazol Violet N Percent:.... CAS Number:2586-60-9 Synonyms:Diamine Violet N , Dianil Violet H , Direct Violet 1 , Erie Violet 3R , Pontamine Violet N Chemical Formula:C32H22N6Na2O8S2 Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Specific hazards:Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. Chlorazol Violet N Section5. FIRE-FIGHTING MEASURES Specific methods:Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Handling Handling is performed in a well ventilated place. Wear suitable protective equipment. Technical measures: Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling:Avoid contact with skin, eyes and clothing. Storage Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store away from incompatible materials such as oxidizing agents. Packaging material:Law is followed. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Hand protection:Protective gloves. Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Form:crystal - powder Color:Deep yellow red - Black Odor:No data available pH: No data available Melting point/freezing point:No data available Boiling Point/Range:No data available Flash Point:No data available Explosive limits Lower:No data available Upper:No data available Density:No data available Solubility:No data available Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. Reactivity:No special reactivity has been reported. Incompartible materials: oxidizing agents Chlorazol Violet N Section10. STABILITY AND REACTIVITY Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Sulphur oxides Products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available RTECS Number:QK1420000 Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available No data available Crustacea: Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobillity in soil No data available log Pow: Soil adsorption (Koc):No data available No data available Henry's Law constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Does not correspond to the classification standard of the United Nations Hazards Class: UN-No:Not Listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. Chlorazol Violet N SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1 。 试验方法：口服 摄入剂量： 1125 mg/kg/71W-C 测试对象：啮齿动物-鼠 毒性类型：瘤 毒性作用： 1.模棱两可瘤代理RTECS标准 2.肿瘤 3.白血病 2 。 试验方法：未报告 摄入剂量： 125 mg/kg/71W-C 测试对象：啮齿动物-鼠 毒性类型：瘤 毒性作用： 1.模棱两可瘤代理RTECS标准 2.输尿管，膀胱-肿瘤 3.肿瘤 生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : QK1420000 CHEMICAL NAME : 2-Naphthalenesulfonic acid, 5,5'-(4,4'-biphenylylenebis(azo))bis(6-amino-4-hydrox y-, disodium salt CAS REGISTRY NUMBER : 2586-60-9 LAST UPDATED : 198910 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C32-H22-N6-O8-S2.2Na MOLECULAR WEIGHT : 728.70 WISWESSER LINE NOTATION : L66J CZ HSWO JQ BNUNR DR DNUN- BL66J CZ HSWO JQ &-NA- 2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1125 gm/kg/71W-C TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors Blood - leukemia REFERENCE : VOONAW Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1928-37; V.1- 1955- Volume(issue)/page/year: 23(7),72,1977 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 125 gm/kg/71W-C TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Kidney, Ureter, Bladder - tumors Blood - tumors REFERENCE : GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 22(10),22,1978

安全

• 危害码 (欧洲): Xi
• RTECS号: QK1420000

制备

联苯胺重氮化后与γ酸偶合，经盐析，过滤，干燥而制得。