131631-89-5

• 常用中文名：OPC 21268
• 常用英文名：OPC 21268
• CAS号：131631-89-5
• 分子式：C₂₆H₃₁N₃O₄
• 分子量：449.542
• 相关类别： 信号通路 G 蛋白偶联受体/G 蛋白 血管加压素受体
• 发布时间：2016-07-01 19:32:39
• 更新时间：2024-01-10 06:00:50
• OPC-21268是一种口服有效的非多肽类加压素受体 (vasopressin V1) 拮抗剂, IC50 值为0.4 μM。

名称

• 中文名: Fuscoside
• 英文名: N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]acetamide
• 英文别名: N-[3-(4-{[4-(2-Oxo-3,4-dihydro-1(2H)-quinolinyl)-1-piperidinyl]carbonyl}phenoxy)propyl]acetamide; Fuscoside; Acetamide, N-[3-[4-[[4-(3,4-dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl]carbonyl]phenoxy]propyl]-; N-[3-(4-{[4-(2-Oxo-3,4-dihydroquinolin-1(2H)-yl)piperidin-1-yl]carbonyl}phenoxy)propyl]acetamide; OPC-21268

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 772.5±60.0 °C at 760 mmHg
• 分子式: C₂₆H₃₁N₃O₄
• 分子量: 449.542
• 闪点: 421.0±32.9 °C
• 精确质量: 449.231445
• PSA: 82.44000
• LogP: 2.22
• 蒸汽压: 0.0±2.6 mmHg at 25°C
• 折射率: 1.596
• 储存条件: -20°C，密闭，干燥

生物活性

• 描述: OPC-21268是一种口服有效的非多肽类加压素受体 (vasopressin V1) 拮抗剂, IC50 值为0.4 μM。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 血管加压素受体
  研究领域 >> 心血管疾病
• 靶点:

  IC50: 0.4 μM (vasopressin V1) Ki: 0.14 μM (vasopressin V1)[1]

• 体外研究: 取代50％特异性AVP结合(IC50)的OPC-21268浓度对于VI受体为0.4μM,对于V2受体为100μM。 OPC受体的抑制常数(Ki)为V1受体(0.14μM)[1]。
• 体内研究: OPC-21268竞争性地和特异性地拮抗体内对AVP的升压反应。口服OPC-21268(10 mg/kg)以剂量和时间依赖的方式抑制外源性AVP诱导的血管收缩,效果持续超过8小时,30 mg/kg [1]。 OPC-21268主要在发生最大量的血脑屏障破坏的区域发挥保护作用,并且在治疗感冒引起的血管源性脑水肿方面是有效的。剂量为200和300 mg/kg的OPC-21268治疗显着降低了两个半球的脑水含量。受创伤的半球肿胀也在200和300 mg/kg剂量下显着降低[2]。
• 激酶实验: 从Sprague-Dawley大鼠制备肝脏和肾脏质膜，其为300至400g。将各种浓度的AVP和OPC-21268与50μg肝膜或600μg肾膜在含有5mM MgCl 2,1mM EDTA，0.1％牛血清白蛋白的0.25ml tris缓冲液（100mM，pH 8.0）中孵育，肝脏中含有1.9 nM [3H] AVP（53.6 Ci / mmol）或肾脏中含有3.8 nM [3H] AVP。在37℃（肝膜）孵育10分钟或在4℃孵育4小时（肾膜）后，向每个测定管中加入3mL冰冷的Tris缓冲液（100mM，pH8.0），并结合并通过玻璃微纤维过滤器过滤分离游离配体，然后洗涤三次。通过减去非特异性结合来确定特异性结合，其在1μM未标记的AVP存在下测量[1]。
• 动物实验: 大鼠[1]雄性Sprague-Dawley大鼠，300至400g，注射OPC-21268（0.1,0.3,1mg / kg）。在静脉注射30 mU / kg的静脉注射AVP前2分钟给予OPC-21268，静脉注射0.3μg/ kg的血管紧张素II，静脉注射3μg/ kg的去甲肾上腺素[1]。
• 参考文献:

  [1]. Yamamura Y, et al. OPC-21268, an orally effective, nonpeptide vasopressin V1 receptor antagonist. Science. 1991 Apr 26;252(5005):572-4.

  [2]. Bemana I, et al. Treatment of brain edema with a nonpeptide arginine vasopressin V1 receptor antagonist OPC-21268 in rats. Neurosurgery. 1999 Jan;44(1):148-54.

MSDS

SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers Product name: OPC-21268 HYDRATE REACH No.: A registration number is not available for this substance as the substance or its uses are exempted from registration, the annual tonnage does not require a registration or the registration is envisaged for a later registration deadline. SECTION 2: Hazards identification Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 Acute toxicity, Oral (Category 4), H302 Acute aquatic toxicity (Category 1), H400 For the full text of the H-Statements mentioned in this Section, see Section 16. Classification according to EU Directives 67/548/EEC or 1999/45/EC Xn, N Harmful, Dangerous for the R22, R50 environment For the full text of the R-phrases mentioned in this Section, see Section 16. Label elements Labelling according Regulation (EC) No 1272/2008 Pictogram Signal wordWarning Hazard statement(s) Harmful if swallowed. Very toxic to aquatic life. Precautionary statement(s) Avoid release to the environment. Supplemental Hazardnone Statements Other hazards - none SECTION 3: Composition/information on ingredients Substances Synonyms: 1-{1-[4(3-acetylaminopropoxy)benzoyl]-4-piperidyl}-3,4-dihydro-2(1H)- quinolinone hydrate N-[3-[4-[[4-(3,4-dihydro-2-oxo-1(2H)-quinolinyl)-1- piperidinyl]carbonyl]phenoxy]propyl]-acetamide hydrate Formula: C26H31N3O4 · xH2O Molecular Weight: 449,54 g/mol Hazardous ingredients according to Regulation (EC) No 1272/2008 ComponentClassificationConcentration OPC-21268 HYDRATE Acute Tox. 4; Aquatic Acute 1; - H302, H400 Hazardous ingredients according to Directive 1999/45/EC ComponentClassificationConcentration OPC-21268 HYDRATE Xn, N, R22 - R50- For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16 SECTION 4: 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. Consult a physician. In case of eye contact Flush eyes with water as a precaution. 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 The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in section 11 Indication of any immediate medical attention and special treatment needed no data available SECTION 5: 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) Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available SECTION 6: Accidental release measures Personal precautions, protective equipment and emergency procedures Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. 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. SECTION 7: 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. For precautions see section 2.2. 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 Specific end use(s) A part from the uses mentioned in section 1.2 no other specific uses are stipulated SECTION 8: Exposure controls/personal protection Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Personal protective equipment Eye/face protection Safety glasses with side-shields conforming to EN166 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 For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Control of environmental exposure Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. SECTION 9: Physical and chemical properties Information on basic physical and chemical properties a) AppearanceForm: 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) Evapouration 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) Auto-ignitionno 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 SECTION 10: Stability and reactivity Reactivity no data available Chemical stability Stable under recommended storage conditions. 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 In the event of fire: see section 5 SECTION 11: Toxicological information Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitisation no data available 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 no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Additional Information RTECS: Not available To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. SECTION 12: 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 PBT/vPvB assessment not available as chemical safety assessment not required/not conducted Other adverse effects Very toxic to aquatic life. SECTION 13: 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. SECTION 14: Transport information UN number ADR/RID: 3077IMDG: 3077IATA: 3077 UN proper shipping name ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (OPC-21268 HYDRATE) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (OPC-21268 HYDRATE) IATA:Environmentally hazardous substance, solid, n.o.s. (OPC-21268 HYDRATE) Transport hazard class(es) ADR/RID: 9IMDG: 9IATA: 9 Packaging group ADR/RID: IIIIMDG: IIIIATA: III Environmental hazards ADR/RID: yesIMDG Marine pollutant: yesIATA: yes Special precautions for user Further information EHS-Mark required (ADR 2.2.9.1.10, IMDG code 2.10.3) for single packagings and combination packagings containing inner packagings with Dangerous Goods > 5L for liquids or > 5kg for solids. SECTION 15: Regulatory information This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment Xn Harmful R22 Harmful if swallowed. R50 Very toxic to aquatic organisms. Further information only. The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any SECTION 16 - ADDITIONAL INFORMATION N/A