30931-67-0

• 常用中文名：2,2'-联氮双(3-乙基苯并噻唑啉-6-磺酸)二铵盐
• 常用英文名：ABTS
• CAS号：30931-67-0
• 分子式：C₁₈H₂₄N₆O₆S₄
• 分子量：548.680
• 相关类别： 有机原料 羧酸类化合物及衍生物 羧酸的卤化、磺化、硝化或亚硝化衍生物
• 发布时间：2018-12-31 12:36:56
• 更新时间：2024-01-02 16:18:40
• ABTS diammonium salt 是一种辣根过氧化物酶 (HRP) 的底物。

名称

• 中文名: 2,2'-联氮双(3-乙基苯并噻唑啉-6-磺酸)二铵盐
• 英文名: Diammonium 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate)
• 中文别名: 2,2'-联氮基双-(3-乙基苯并噻唑啉-6-磺酸)二氨盐; 2,2'-联氮双(3-乙基苯并噻唑啉-6-磺酸铵盐); 2,2'-联氮基双(3-乙基苯并噻唑啉-6-磺酸)二铵盐; 2,2’-联氮双(3-乙基苯并噻唑啉-6-磺酸)二铵盐; 2,2'-联氨-双(3-乙基苯并噻唑啉-6-磺酸)二胺盐; 2,2'-联氮双(3-乙基苯并噻唑啉-6-磺酸)二铵盐 ABTS
• 英文别名: 2,2'-Azinobis(3-ethylbenzothiazolin-6-sulfonsaeure)diammoniumsalz; AzBTS-(NH4)2; 6-Benzothiazolesulfonate, 2,2'-[(1Z,2Z)-1,2-hydrazinediylidene]bis[3-ethyl-2,3-dihydro-, (2Z,2'Z)-, ammonium salt (1:2); 2,2'-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt; ABTS (diammonium salt); ABTS SUBSTRATE; (2Z,2'Z)-2,2'-(1Z,2Z)-Hydrazine-1,2-diylidenebis(3-ethyl-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid) diammoniate; AzBTS-(NH4)2/ABTS diaMMoniuM salt; diammonium 2,2'-azinobis(3-ethylbenzthiazoline-6-sulphonate); ABTS ammonium salt; ABTS [=2,2'-Azinobis(3-ethylbenzothiazoline-6-sulfonic Acid Ammonium Salt)]; MFCD00010404; 2,2'-azinobis-(3-ethyl-2,3-dihydrobenzothiazole-6-sulphonate) diammonium salt; 2,2'-Azinobis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt; 2,2'-Azinobis(3-ethylbenzothiazoline-6-sulfonic Acid Ammonium Salt); ABTS-(NH4)2,PACKAGE WITH 50 TABLETS; ABTS-(NH4)2; 2,2'-(1,4-PHENYLENE)BIS-1H-BENZOTHIAZOLE; EINECS 250-396-6; ABTS(R),DIAMMONIUM SALT; Diammonium (2Z,2'Z)-2,2'-[(1Z,2Z)-1,2-hydrazinediylidene]bis(3-ethyl-2,3-dihydro-1,3-benzothiazole-6-sulfonate); ABTS substrate tablets; ABTS

物化性质

• 沸点: 881.2ºC at 760mmHg
• 分子式: C₁₈H₂₄N₆O₆S₄
• 分子量: 548.680
• 闪点: 486.7ºC
• 精确质量: 548.064026
• PSA: 223.04000
• LogP: 5.47820
• 外观性状: 淡绿色粉末
• 储存条件:

  密封、在温室保存

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应

• 水溶解性: H2O: 50 mg/mL, very slightly hazy, green
• 计算化学:

  1、 疏水参数计算参考值（XlogP）：

  2、 氢键供体数量：2

  3、 氢键受体数量：10

  4、 可旋转化学键数量：3

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：148

  7、 重原子数量：34

  8、 表面电荷：0

  9、 复杂度：883

  10、同位素原子数量：0

  11、确定原子立构中心数量：0

  12、不确定原子立构中心数量：0

  13、确定化学键立构中心数量：2

  14、不确定化学键立构中心数量：0

  15、共价键单元数量：3

• 更多:

  1. 性状：块状

  2. 密度（g/mL,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC, KPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（Pa,20ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：H₂O: 50mg/mL

生物活性

• 描述: ABTS diammonium salt 是一种辣根过氧化物酶 (HRP) 的底物。
• 相关类别:
  信号通路 >> 其他 >> 其他
  生化试剂
  研究领域 >> 其他
• 体外研究: 研究了使用ABTS作为HRP缀合物底物的酶联免疫吸附测定(ELISA)的微技术。在4个底物的比较研究中,即; 5-氨基水杨酸(5AS),邻苯二胺(OPD),O-联甲苯胺(OT)和ABTS,对于HRP的敏感性,ABTS是最敏感,最稳定,最具视觉效果的蓝绿色[ 1]。 ABTS是典型的过氧化物酶底物。为了纯化和表征,过氧化物酶阳性转化体在培养上清液中产生活性蛋白的条件下大规模培养(XL)。培养160小时后,获得相对于底物ABTS的55,000U/L的活性,并收获含有过氧化物酶的上清液。以ABTS为底物,当H2O2浓度超过0.125mM时,过氧化物酶活性显着下降,表明该酶被H2O2抑制。最大反应速率取决于测试的底物,其值在31.2和125μM之间[2]。
• 激酶实验: 使用温度控制的多模板读数器或者在UV / Vis分光光度计中光度测定酶活性。通过添加酶引发反应。在25℃，在适当的基质波长下，在10分钟内测量酶活性。一个单位（1U）定义为每分钟转化1μmol底物的酶量。各种H2O2浓度（0-1250μM，酶浓度（0.27-54 nM）和底物浓度）用于测定酶活性。在pH3.8的100mM乙酸钠缓冲液和最终H2O2浓度下测定rPsaDyP对ABTS的活性。在420nm（ε42036,000Lmol-1 cm-1）下研究ABTS阳离子自由基的产生[2]。
• 参考文献:

  [1]. Matsuda H, et al. Evaluation of ELISA with ABTS, 2-2'-azino-di-(3-ethylbenzthiazoline sulfonic acid), as the substrate of peroxidase and its application to the diagnosis of schistosomiasis. Jpn J Exp Med. 1984 Jun;54(3):131-8.

  [2]. Lauber C, et al. Identification, heterologous expression and characterization of a dye-decolorizing peroxidase of Pleurotus sapidus. AMB Express. 2017 Aug 23;7(1):164.

MSDS

Section I.Chemical Product and Company Identification Chemical NameABTS [=2,2'-Azinobis(3-ethylbenzothiazoline- 6-sulfonic Acid Ammonium Salt)] [for Biochemical Research] Portland OR Synonym2,2'-Azinobis(3-ethylbenzothiazoline-6-sulfonic Acid Ammonium Salt) Chemical FormulaC18H24N6O6S4 CAS Number30931-67-0 Section II.Composition and Information on Ingredients CAS Number Percent (%)TLV/PELToxicology Data Chemical Name ABTS [=2,2'-Azinobis(3-ethylbenzothiazoline-Min. 98.0 (N) Not available.Not available. 30931-67-0 6-sulfonic Acid Ammonium Salt)] [for Biochemical Research] Section III. Hazards Identification Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the Acute Health Effects eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. CARCINOGENIC EFFECTS : Not available. Chronic Health Effects MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Section IV.First Aid Measures Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 Eye Contact minutes. COLD water may be used. Get medical attention. Skin ContactIn case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. COLD water may be used.Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention. InhalationIf the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not improve. IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material was ingested; the absence of such signs, however, is not conclusive. Section V.Fire and Explosion Data Not available. Auto-Ignition FlammabilityMay be combustible at high temperature. Flammable LimitsNot available. Flash PointsNot available. Combustion ProductsThese products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2), sulfur oxides (SO2, SO3...). Fire Hazards Not available. Risks of explosion of the product in presence of mechanical impact: Not available. Explosion Hazards Risks of explosion of the product in presence of static discharge: Not available. Fire Fighting Media SMALL FIRE: Use DRY chemical powder. LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet. and Instructions Consult with local fire authorities before attempting large scale fire-fighting operations. Continued on Next Page ABTS [=2,2'-Azinobis(3-ethylbenzothiazoline- 6-sulfonic Acid Ammonium Salt)] [for Biochemical Research] Section VI.Accidental Release Measures Spill CleanupIrritating Material. Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any Instructions contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on disposal. Section VII. Handling and Storage IRRITANT. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a Handling and Storage dry, cool place. Avoid excessive heat and light. Do not breathe dust. Information Always store away from incompatible compounds such as oxidizing agents. Section VIII. Exposure Controls/Personal Protection Engineering ControlsUse process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants below the exposure limit. Personal ProtectionSplash goggles. Lab coat. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent. Not available. Exposure Limits Section IX. Physical and Chemical Properties Physical state @ 20°CSolid. (Crystalline powder. White to slightlySolubilitySoluble in cold water. pale green.) Not available. Specific Gravity Molecular Weight548.68Partition CoefficientNot available. Boiling PointNot available.Vapor PressureNot applicable. Melting Point300°C (572°F)Vapor DensityNot available. Not available.Not available. Refractive IndexVolatility Not available. Critical TemperatureNot available.Odor ViscosityNot available.TasteNot available. Section X.Stability and Reactivity Data Stability This material is stable if stored under proper conditions. (See Section VII for instructions) Conditions of InstabilityAvoid excessive heat and light. Incompatibilities Reactive with oxidizing agents. Section XI. Toxicological Information RTECS NumberDL7002000 Eye Contact. Ingestion. Inhalation. Routes of Exposure Toxicity DataNot available. CARCINOGENIC EFFECTS : Not available. Chronic Toxic Effects MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Acute Toxic EffectsIrritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Continued on Next Page ABTS [=2,2'-Azinobis(3-ethylbenzothiazoline- 6-sulfonic Acid Ammonium Salt)] [for Biochemical Research] Section XII.Ecological Information Not available. Ecotoxicity Environmental FateNot available. Section XIII. Disposal Considerations Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a Waste Disposal 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. Section XIV. Transport Information DOT ClassificationNot a DOT controlled material (United States). PIN NumberNot applicable. Proper Shipping NameNot applicable. Packing Group (PG)Not applicable. DOT Pictograms Section XV. Other Regulatory Information and Pictograms TSCA Chemical InventoryThis product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40 CFR 720.36 (C) for those products not on the inventory list: (EPA) (i) These products are supplied solely for use in research and development by or under the supervision of a technically qualified individual as defined in 40 CFR 720.0 et sec. (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be supplied on an MSDS sheet. WHMIS ClassificationOn DSL. (Canada) EINECS Number (EEC) 250-396-6 EEC Risk Statements R36/37/38- Irritating to eyes, respiratory system and skin. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、 致突变性：沙门氏菌微生物突变实验：100mg/L 肺炎克雷伯氏菌微生物突变实验：11mg/L 生态学数据: 若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : DL7002000 CAS REGISTRY NUMBER : 30931-67-0 LAST UPDATED : 199410 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C18-H16-N4-O6-S4.2H4-N MOLECULAR WEIGHT : 548.72 WISWESSER LINE NOTATION : T56 BNYSJ B2 GSWQ CUNNU- CT56 BNYSJ B2 GSWQ &ZH 2 HEALTH HAZARD DATA ACUTE TOXICITY DATA MUTATION DATA TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Klebsiella pneumoniae DOSE/DURATION : 11 gm/L REFERENCE : JIMMBG Journal of Immunological Methods. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1971- Volume(issue)/page/year: 36,55,1980

安全

• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• RTECS号: DL7002000
• 海关编码: 29342080