4143-62-8

• 常用中文名：3',4'-二甲氧基黄酮
• 常用英文名：3',4'-dimethoxyflavone
• CAS号：4143-62-8
• 分子式：C₁₇H₁₄O₄
• 分子量：282.29100
• 相关类别： 生物化工 植物提取物
• 发布时间：2018-02-10 08:00:00
• 更新时间：2024-01-20 15:45:10
• 3',4'-二甲氧基黄酮是一种脂溶性黄酮,可从报春花叶中分离得到。3',4'-二甲氧基黄酮可以减少PARP的合成和积累,保护皮层神经元免受Parthanatos诱导的细胞死亡。3',4'-二甲氧基黄酮也是人类乳腺癌细胞中的芳基碳氢化合物受体拮抗剂。3',4'-二甲氧基黄酮能促进人造血干细胞的增殖。3',4'-二甲氧基黄酮具有多种生物活性,包括抗氧化、抗癌、抗炎、抗动脉粥样硬化、降血脂和神经保护或神经营养作用[1][2][3][4]。

名称

• 中文名: 3’,4’-二甲氧基黄酮
• 英文名: 3′,4′-Dimethoxyflavone
• 中文别名: 3',4'-二甲氧基黄酮; 3,4-二甲氧基黄酮
• 英文别名: MFCD00143009; 2-(3,4-Dimethoxyphenyl)chromen-4-one; 3',4'-DIMETHOXYFLAVONE

物化性质

• 密度: 1.242g/cm3
• 沸点: 428.5ºC at 760 mmHg
• 熔点: 154-155°C
• 分子式: C₁₇H₁₄O₄
• 分子量: 282.29100
• 闪点: 190.6ºC
• 精确质量: 282.08900
• PSA: 48.67000
• LogP: 3.47720
• 外观性状: 固体;White to Light yellow powder to crystal
• 折射率: 1.598
• 储存条件:

  避光，通风干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积44.8

  7.重原子数量:21

  8.表面电荷:0

  9.复杂度:417

  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:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

生物活性

• 描述: 3',4'-二甲氧基黄酮是一种脂溶性黄酮,可从报春花叶中分离得到。3',4'-二甲氧基黄酮可以减少PARP的合成和积累,保护皮层神经元免受Parthanatos诱导的细胞死亡。3',4'-二甲氧基黄酮也是人类乳腺癌细胞中的芳基碳氢化合物受体拮抗剂。3',4'-二甲氧基黄酮能促进人造血干细胞的增殖。3',4'-二甲氧基黄酮具有多种生物活性,包括抗氧化、抗癌、抗炎、抗动脉粥样硬化、降血脂和神经保护或神经营养作用[1][2][3][4]。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 表观遗传学 >> PARP
  研究领域 >> 心血管疾病
  信号通路 >> 免疫及炎症 >> 芳基烃受体
  研究领域 >> 炎症/免疫
  研究领域 >> 神经疾病
  信号通路 >> 细胞周期/DNA损伤 >> PARP
• 靶点:

  PARP, Aryl hydrocarbon receptor[1]

• 体外研究: 3',4'-二甲氧基黄酮(10和20μM)对甲基亚硝基胍(MNNG)(HY-128612)引起的SH-SY5Y活力降低具有保护作用[2]。3’,4’-二甲氧基黄酮(6.25-25μM)降低MNNG诱导的HeLa细胞标准杆数水平[2]。3',4'-二甲氧基黄酮(12.5,25,50和100μM；15-20小时)可减少因接触NMDA(HY-17551)而导致的皮层神经元死亡[2]。3',4'-二甲氧基黄酮(0.1-10μM；24 h)对MCF-7和T47D细胞中2,3,7,8-四氯二苯并对二恶英(TCDD)诱导的EROD活性具有显著抑制作用[3]。3',4'-二甲氧基黄酮抑制T47D和MCF-7乳腺癌细胞中AhR依赖性CYP1A1诱导和AhR介导的雌激素诱导基因表达抑制[3]。3′,4′-二甲氧基黄酮(2.5μM；7天)促进人类造血干细胞的增殖[4]。细胞活力测定[2]细胞系：初级皮质神经元(从胎儿CD1小鼠中分离,用NMDA孵育)浓度：12.5、25、50和100μM孵育时间：15-20小时结果：降低了NMDA暴露引起的浓度依赖性神经元死亡。细胞增殖试验[4]细胞株：CD34+细胞浓度：2.5μM培养时间：7天结果：在常压下诱导CD34+群体显著增加扩增。
• 参考文献:

  [1]. Budzianowski J, et al. Lipophilic flavones of Primula veris L. from field cultivation and in vitro cultures. Phytochemistry. 2005 May;66(9):1033-9.

  [2]. Fatokun AA, et al. Identification through high-throughput screening of 4'-methoxyflavone and 3',4'-dimethoxyflavone as novel neuroprotective inhibitors of parthanatos. Br J Pharmacol. 2013 Jul;169(6):1263-78.

  [3]. Lee JE, et al. 3',4'-dimethoxyflavone as an aryl hydrocarbon receptor antagonist in human breast cancer cells. Toxicol Sci. 2000 Dec;58(2):235-42.

  [4]. Kaur K, et al. 3',4'-Dimethoxyflavone and valproic acid promotes the proliferation of human hematopoietic stem cells. Stem Cell Res Ther. 2013 May 24;4(3):60.

MSDS

SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers : 3′,4′-Dimethoxyflavone Product name 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. CAS-No.: 4143-62-8 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances SECTION 2: Hazards identification Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 Acute toxicity, Oral (Category 3), H301 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 T ToxicR25 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 wordDanger Hazard statement(s) H301Toxic if swallowed. Precautionary statement(s) P301 + P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/ physician. Supplemental Hazardnone Statements Other hazards - none SECTION 3: Composition/information on ingredients Substances Synonyms: 3',4'-DMF; 2-(3,4-Dimethoxyphenyl)-4H-1-benzopyran-4-one 2-(3,4-dimethoxyphenyl)chromen-4-one Formula: C17H14O4 Molecular Weight: 282,29 g/mol CAS-No.: 4143-62-8 Hazardous ingredients according to Regulation (EC) No 1272/2008 ComponentClassificationConcentration 3',4'-DIMETHOXYFLAVONE Acute Tox. 3; H301- Hazardous ingredients according to Directive 1999/45/EC ComponentClassificationConcentration 3',4'-DIMETHOXYFLAVONE T, R25- 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. Take victim immediately to hospital. 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 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 Wear respiratory protection. 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. 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. 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 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). Control of environmental exposure Prevent further leakage or spillage if safe to do so. Do not let product enter drains. 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- log Pow: 3,30 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 no data available 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 no data available 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: 2811IMDG: 2811IATA: 2811 UN proper shipping name ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. IMDG: TOXIC SOLID, ORGANIC, N.O.S. (3',4'-DIMETHOXYFLAVONE) IATA:Toxic solid, organic, n.o.s. (3',4'-DIMETHOXYFLAVONE) 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

毒性和生态

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境.

安全

• 符号: GHS06
• 信号词: Danger
• 危害声明: H301
• 警示性声明: P301 + P310
• 危害码 (欧洲): T
• 风险声明 (欧洲): 25
• 安全声明 (欧洲): S22-S24/25
• 危险品运输编码: UN 2811 6.1 / PGIII
• 海关编码: 2914509090

海关

海关编码	2914509090
中文概述	2914509090 含其他含氧基的酮. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 丙酮报明包装
Summary	HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%