8015-61-0

• 常用中文名：芦荟提取液
• 常用英文名：Aloin
• CAS号：8015-61-0
• 分子式：C₂₁H₂₂O₉
• 分子量：418.394
• 相关类别： 天然产物 蒽醌
• 发布时间：2018-04-23 08:00:00
• 更新时间：2024-01-06 10:23:39
• Aloin (mixture of A&B) 是从芦荟中分离出来的蒽醌衍生物。Aloin (mixture of A&B) 具有多种生物活性,如抗炎、免疫、抗糖尿病、抗氧化、抗菌、抗真菌和抗肿瘤活性。Aloin (mixture of A&B) 是刺激性粒细胞基质金属蛋白酶 (MMPs) 的有效抑制剂。

名称

• 中文名: 芦荟素
• 英文名: (1S)-1,5-Anhydro-1-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9 ,10-dihydro-9-anthracenyl]-D-glucitol
• 中文别名: 芦荟提取液
• 英文别名: (1S)-1,5-Anhydro-1-[(9R)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-D-glucitol; isobarbaloin; (10R)-10-β-D-Glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone; 9(10H)-Anthracenone, 10-β-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (R)-; 10-(1',5'-Anhydroglucosyl)-aloe-emodin-9-anthrone; (10R)-1,8-Dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-9(10H)-anthracenone; D-Glucitol, 1,5-anhydro-1-C-[(9R)-9,10-dihydro-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9-anthracenyl]-, (1S)-; (1S)-1,5-Anhydro-1-[(9R)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydro-9-anthracenyl]-D-glucitol

物化性质

• 密度: 1.6±0.1 g/cm3
• 沸点: 752.6±60.0 °C at 760 mmHg
• 分子式: C₂₁H₂₂O₉
• 分子量: 418.394
• 闪点: 268.0±26.4 °C
• 精确质量: 418.126373
• PSA: 167.91000
• LogP: 1.86
• 蒸汽压: 0.0±2.6 mmHg at 25°C
• 折射率: 1.741
• 储存条件:

  储存于阴凉干燥处。

• 稳定性:

  常温常压下性质稳定。

• 水溶解性: pyridine: 50 mg/mL, clear, dark red
• 计算化学:

  1.疏水参数计算参考值（XlogP）:-0.1

  2.氢键供体数量:7

  3.氢键受体数量:9

  4.可旋转化学键数量:3

  5.互变异构体数量:89

  6.拓扑分子极性表面积168

  7.重原子数量:30

  8.表面电荷:0

  9.复杂度:630

  10.同位素原子数量:0

  11.确定原子立构中心数量:6

  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

• 更多:

  1. 性状：柠檬黄结晶，略带沉香气味，味苦。

  2. 密度（g/mL 25ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC常压）：未确定

  5. 沸点（ºC，常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率（n20/D）：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（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：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（25℃）：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(mg/mL) ：易溶于吡啶，溶于冰醋酸、甲醇、丙酮、醋酸甲酯、水及乙醇等。

生物活性

• 描述: Aloin (mixture of A&B) 是从芦荟中分离出来的蒽醌衍生物。Aloin (mixture of A&B) 具有多种生物活性,如抗炎、免疫、抗糖尿病、抗氧化、抗菌、抗真菌和抗肿瘤活性。Aloin (mixture of A&B) 是刺激性粒细胞基质金属蛋白酶 (MMPs) 的有效抑制剂。
• 相关类别:
  研究领域 >> 癌症
  研究领域 >> 感染
  信号通路 >> 抗感染 >> 真菌
  研究领域 >> 炎症/免疫
  信号通路 >> 代谢酶/蛋白酶 >> MMP
  信号通路 >> 抗感染 >> 细菌
• 靶点:

  MMPs[2]

• 参考文献:

  [1]. Jiang M, et al. Evaluation of the Antioxidative, Antibacterial, and Anti-Inflammatory Effects of the Aloe Fermentation Supernatant Containing Lactobacillus plantarum HM218749.1. Mediators Inflamm. 2016;2016:2945650.

  [2]. Barrantes E, et al. Inhibition of collagenase and metalloproteinases by aloins and aloe gel. Life Sci. 2003 Jan 3;72(7):843-50.

MSDS

Section 1. Chemical Product and Company Identification Aloin Common Name/ Trade Name Aloin Section 4. First Aid Measures Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least Eye Contact 15 minutes. Get medical attention if irritation occurs. Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops. Skin Contact Serious Skin ContactNot available. InhalationIf inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical attention. Not available. Serious Inhalation Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an Ingestion unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight clothing such as a collar, tie, belt or waistband. Not available. Serious Ingestion Section 5. Fire and Explosion Data Flammability of the Product May be combustible at high temperature. Auto-Ignition Temperature Not available. Not available. Flash Points Not available. Flammable Limits These products are carbon oxides (CO, CO2). Products of Combustion Fire Hazards in Presence of Slightly flammable to flammable in presence of heat. Various Substances Risks of explosion of the product in presence of mechanical impact: Not available. Explosion Hazards in Risks of explosion of the product in presence of static discharge: Not available. Presence of Various Substances SMALL FIRE: Use DRY chemical powder. Fire Fighting Media LARGE FIRE: Use water spray, fog or foam. Do not use water jet. and Instructions Material in powder form, capable of creating a dust explosion. As with most organic solids, fire is possible at elevated Special Remarks on temperatures Fire Hazards Fine dust dispersed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust Special Remarks on explosion hazard. Explosion Hazards Section 6. Accidental Release Measures Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by spreading Small Spill water on the contaminated surface and dispose of according to local and regional authority requirements. Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water on Large Spill the contaminated surface and allow to evacuate through the sanitary system. Aloin Section 7. Handling and Storage Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not Precautions breathe dust. Keep container tightly closed. Keep container in a cool, well-ventilated area. Storage Section 8. Exposure Controls/Personal Protection Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below Engineering Controls recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants below the exposure limit. Personal ProtectionSafety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves. Personal Protection in Case Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE of a Large Spill handling this product. Exposure LimitsNot available. Section 9. Physical and Chemical Properties Solid. (Powdered solid.)Not available. Physical state andO dor appearance Bitter. Taste 418.39 g/mole Molecular Weight Yellowish-brown. Yellow. Color Not available. pH (1% soln/water) Not available. Boiling Point 148°C (298.4°F) Melting Point Not available. Critical Temperature Not available. Specific Gravity Not applicable. Vapor Pressure Not available. Vapor Density Not available. Volatility Not available. Odor Threshold Not available. Water/Oil Dist. Coeff. Not available. Ionicity (in Water) Not available. Dispersion Properties Not available. Solubility Section 10. Stability and Reactivity Data The product is stable. Stability Not available. Instability Temperature Conditions of Instability Excess heat. Incompatibility with various Not available. substances Non-corrosive in presence of glass. Corrosivity Aloin Not available. Special Remarks on Reactivity Not available. Special Remarks on Corrosivity Will not occur. Polymerization Section 11. Toxicological Information Inhalation. Ingestion. Routes of Entry Toxicity to AnimalsLD50: Not available. LC50: Not available. Chronic Effects on Humans Not available. Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation. Other Toxic Effects on Humans Not available. Special Remarks on Toxicity to Animals Not available. Special Remarks on Chronic Effects on Humans Acute Potential Health Effects: Special Remarks on other Skin: It can cause skin irritation. Toxic Effects on Humans Eyes: It can cause eye irritation. Inhalation: It may cause respiratory tract irritation. Ingeston: It has laxative properties and increases the perstaltic contractions in the colon. It also prevents the colon from re-absorbing water from the gastrointestinal tract, which leads to softer stools. Ingestion of large amounts may cause abdominal pain, diarrhea, an electrolyte imbalance. Section 12. Ecological Information Not available. Ecotoxicity Not available. BOD5 and COD Products of Biodegradation Possibly hazardous short term degradation products are not likely. However, long term degradation products may arise. The product itself and its products of degradation are not toxic. Toxicity of the Products of Biodegradation Not available. Special Remarks on the Products of Biodegradation Section 13. Disposal Considerations Waste must be disposed of in accordance with federal, state and local environmental control Waste Disposal regulations. Section 14. Transport Information Not a DOT controlled material (United States). DO T Cl assi fi cati on Not applicable. Identification Not applicable. Special Provisions for Transport Aloin DO T (Pi ctograms) Section 15. Other Regulatory Information and Pictograms TSCA 8(b) inventory: Aloin Federal and State Regulations California prop. 65: This product contains the following ingredients for which the State of California has found to California cause cancer which would require a warning under the statute: No products were found. Proposition 65 Warnings California prop. 65: This product contains the following ingredients for which the State of California has found to cause birth defects which would require a warning under the statute: No products were found. Other RegulationsEINECS: This product is not on the European Inventory of Existing Commercial Chemical Substances. Canada: Listed on Canadian Domestic Substance List (DSL). China: Not listed on National Inventory. Japan: Not listed on National Inventory (ENCS). Korea: Not listed on National Inventory (KECI). Philippines: Listed on National Inventory (PICCS). Australia: Listed on AICS. WHMIS (Canada) Not controlled under WHMIS (Canada). Other Classifications This product is not classified according Not applicable. DSCL (EEC) to the EU regulations. Health Hazard HMIS (U.S.A.)1 National Fire Protection 1 Flammability 1 Association (U.S.A.) Fire Hazard 1 0 Reactivity Health Reactivity 0 Specific hazard Personal Protection E WHMIS (Canada) (Pictograms) DSCL (Europe) (Pictograms) TDG(Canada) (Pictograms) ADR (Europe) (Pictograms) Protective Equipment Gloves. Aloin Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26;S36
• WGK德国: 3
• 海关编码: 2938909090

制备

1.在芦荟发育旺盛时切断叶部，收集流出汁液，浓缩成浸膏状，加甲醇回流提取。甲醇提取液减压浓缩成糖浆，复用甲苯加热回流提取，减压除去甲苯至干即为芦荟苷制品。

海关

海关编码	2938909090