711019-86-2

• 常用中文名：N,N''-1,4-丁烷二基双[N'-(3-异异硫氰基苯基)硫脲
• 常用英文名：MRS 2578
• CAS号：711019-86-2
• 分子式：C₂₀H₂₀N₆S₄
• 分子量：472.673
• 相关类别： 生物化工 抑制剂 神经信号通路(Neuronal Signaling) P2 Receptor 拮抗剂
• 发布时间：2017-12-23 16:45:00
• 更新时间：2024-01-08 00:36:39
• MRS2578是P2Y6受体拮抗剂,IC50为37 nM,对P2Y1,P2Y2,P2Y4和P2Y11受体的抑制性较弱。

名称

• 中文名: N,N''-1,4-丁烷二基双[N'-(3-异异硫氰基苯基)硫脲
• 英文名: 1-(3-isothiocyanatophenyl)-3-[4-[(3-isothiocyanatophenyl)carbamothioylamino]butyl]thiourea
• 英文别名: 1,1'-(1,4-Butanediyl)bis[3-(3-isothiocyanatophenyl)(thiourea)]; Thiourea, N,N''-1,4-butanediylbis[N'-(3-isothiocyanatophenyl)-; MRS 2578; MRS2578

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 652.7±65.0 °C at 760 mmHg
• 分子式: C₂₀H₂₀N₆S₄
• 分子量: 472.673
• 闪点: 348.5±34.3 °C
• 精确质量: 472.063232
• PSA: 201.20000
• LogP: 5.10
• 外观性状: 白色固体
• 蒸汽压: 0.0±2.0 mmHg at 25°C
• 折射率: 1.687
• 储存条件: 2-8°C
• 水溶解性: DMSO: ~17 mg/mL

生物活性

• 描述: MRS2578是P2Y6受体拮抗剂,IC50为37 nM,对P2Y1,P2Y2,P2Y4和P2Y11受体的抑制性较弱。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> P2Y受体
  研究领域 >> 心血管疾病
• 参考文献:

  [1]. Mamedova LK, et al. Diisothiocyanate derivatives as potent, insurmountable antagonists of P2Y6 nucleotide receptors. Biochem Pharmacol, 2004, 67(9), 1763-1770.

  [2]. Riegel AK, et al. Selective induction of endothelial P2Y6 nucleotide receptor promotes vascular inflammation. Blood, 2011, 117(8), 2548-2555.

  [3]. Vieira RP, et al. Purinergic receptor type 6 contributes to airway inflammation and remodeling in experimental allergic airway inflammation. Am J Respir Crit Care Med, 2011, 184(2), 215-223.

MSDS

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product identifiers Product name: MRS 2578 CAS-No.: 711019-86-2 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP] Acute toxicity, Inhalation (Category 4) Acute toxicity, Dermal (Category 4) Acute toxicity, Oral (Category 3) Skin irritation (Category 2) Eye irritation (Category 2) Respiratory sensitization (Category 1) Specific target organ toxicity - single exposure (Category 3) Classification according to EU Directives 67/548/EEC or 1999/45/EC Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. May cause sensitization by inhalation. Label elements Labelling according Regulation (EC) No 1272/2008 [CLP] Pictogram Signal wordDanger Hazard statement(s) H301Toxic if swallowed. H312Harmful in contact with skin. H315Causes skin irritation. H319Causes serious eye irritation. H332Harmful if inhaled. H334May cause allergy or asthma symptoms or breathing difficulties if inhaled. H335May cause respiratory irritation. Precautionary statement(s) P261Avoid breathing dust. P280Wear protective gloves/ protective clothing. P301 + P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/ physician. P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P342 + P311If experiencing respiratory symptoms: Call a POISON CENTER or doctor/ physician. Supplemental Hazardnone Statements According to European Directive 67/548/EEC as amended. Hazard symbol(s) R-phrase(s) R20/21/22Harmful by inhalation, in contact with skin and if swallowed. R36/37/38Irritating to eyes, respiratory system and skin. R42May cause sensitization by inhalation. S-phrase(s) S22Do not breathe dust. S26In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39Wear suitable protective clothing, gloves and eye/face protection. S45In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Other hazards Lachrymator. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substances Synonyms: 1,4-Di[3-(3-isothiocyanatophenyl)thioureido]butane Formula: C20H20N6S4 Molecular Weight: 472,67 g/mol ComponentConcentration 1,4-Di[3-(3-isothiocyanatophenyl)thioureido] butane CAS-No.711019-86-2- Section4. FIRST AID MEASURES Description of first aid measures General advice Consult a physician. Show this safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. Most important symptoms and effects, both acute and delayed Cough, Shortness of breath, Headache, Nausea, Vomiting, To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. Indication of any immediate medical attention and special treatment needed no data available Section5. FIREFIGHTING MEASURES Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides, nitrogen oxides (NOx), Sulphur oxides Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available Section6. ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures Wear respiratory protection. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Methods and materials for containment and cleaning up Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. Section7. HANDLING AND STORAGE Precautions for safe handling Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire protection. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature: 2 - 8 °C Moisture sensitive. Store under inert gas. Specific end uses no data available Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling the product. Personal protective equipment Eye/face protection Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Where risk assessment shows air-purifying respirators are appropriate use a full-face particle respirator type N99 (US) or type P2 (EN 143) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Section9. PHYSICAL AND CHEMICAL PROPERTIES Information on basic physical and chemical properties a) AppearanceForm: solid, solid b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingno data available point f) Initial boiling point and no data available boiling range g) Flash pointno data available h) Evaporation rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative densityno data available n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Autoignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available Section10. STABILITY AND REACTIVITY Reactivity no data available Chemical stability no data available Possibility of hazardous reactions no data available Conditions to avoid no data available Incompatible materials Strong oxidizing agents Hazardous decomposition products Other decomposition products - no data available Section11. TOXICOLOGICAL INFORMATION Information on toxicological effects Acute toxicity LD50 Oral - rat - 209,7 mg/kg Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitization May cause allergic respiratory reaction. Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure Inhalation - May cause respiratory irritation. Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Potential health effects InhalationHarmful if inhaled. Causes respiratory tract irritation. IngestionToxic if swallowed. SkinHarmful if absorbed through skin. Causes skin irritation. EyesCauses serious eye irritation. Signs and Symptoms of Exposure Cough, Shortness of breath, Headache, Nausea, Vomiting, To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. Additional Information RTECS: Not available Section12. ECOLOGICAL INFORMATION Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Contaminated packaging Dispose of as unused product. Section14. TRANSPORT INFORMATION UN number ADR/RID: 2811IMDG: 2811IATA: 2811 UN proper shipping name ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (1,4-Di[3-(3-isothiocyanatophenyl)thioureido] butane) IMDG: TOXIC SOLID, ORGANIC, N.O.S. (1,4-Di[3-(3-isothiocyanatophenyl)thioureido] butane) IATA:Toxic solid, organic, n.o.s. (1,4-Di[3-(3-isothiocyanatophenyl)thioureido] butane) Transport hazard class(es) ADR/RID: 6.1IMDG: 6.1IATA: 6.1 Packaging group ADR/RID: IIIIMDG: IIIIATA: III Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available SECTION 15 - REGULATORY INFORMATION N/A SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 符号: GHS06, GHS08
• 信号词: Danger
• 危害声明: H301-H312 + H332-H315-H319-H334-H335
• 警示性声明: P261-P284-P301 + P310 + P330-P302 + P352 + P312-P304 + P340 + P312-P342 + P311
• 个人防护装备: dust mask type N95 (US);Eyeshields;Faceshields;Gloves
• 危害码 (欧洲): Xn
• 风险声明 (欧洲): 20/21/22-36/37/38-42
• 安全声明 (欧洲): 22-26-36/37/39-45
• 危险品运输编码: UN 2811
• WGK德国: 3