22919-26-2

• 常用中文名：4-甲基伞形酮磷酸酯 二钠盐
• 常用英文名：Disodium 4-methyl-2-oxo-2H-chromen-7-yl phosphate
• CAS号：22919-26-2
• 分子式：C₁₀H₇Na₂O₆P
• 分子量：300.112
• 相关类别： 医药中间体 杂环化合物 吡喃类化合物
• 发布时间：2018-02-13 08:00:00
• 更新时间：2024-01-02 16:58:16
• 4-甲基伞形花序基磷酸酯(4-MUP)二钠是一种阴离子有机磷酸盐,是一种酸性和碱性磷酸酶荧光底物。4-甲基延胡索磷酸二钠也是一种神经毒剂模拟物[1][2][3]。

名称

• 中文名: 4-甲基伞形酮磷酸二钠盐三水
• 英文名: disodium,(4-methyl-2-oxochromen-7-yl) phosphate
• 中文别名: 4-甲基伞花基磷酸钠; 4-甲基伞花基磷酸钠; 4-甲基-7-(磷酰氧基)-2H-1-苯并呋喃-2-酮二钠盐
• 英文别名: Sodium 4-methyl-2-oxo-2H-chromen-7-yl phosphate; 4-Methylumbelliferyl phosphate sodium salt; 4-MUP,Disodium 4-methylumbelliferyl phosphate; EINECS 245-325-0; Disodium 4-methyl-2-oxo-2H-chromen-7-yl phosphate; 2H-1-Benzopyran-2-one, 4-methyl-7-(phosphonooxy)-, sodium salt (1:2); 4-Methylumbelliferylphosphate disodium salt trihydrate; 4-MUP; 4-Methylumbelliferyl phosphate,disodium salt; MFCD00037614; Disodium 4-methylumbelliferyl phosphate

物化性质

• 沸点: 511.4ºC at 760 mmHg
• 分子式: C₁₀H₇Na₂O₆P
• 分子量: 300.112
• 闪点: 263.1ºC
• 精确质量: 299.977570
• PSA: 112.44000
• LogP: 2.44930
• 外观性状: 白色粉末
• 蒸汽压: 2.79E-11mmHg at 25°C
• 储存条件:

  密闭于-20 ºC阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、摩尔折射率：无可用

  2、 摩尔体积（cm³/mol）：无可用

  3、 等张比容（90.2K）：无可用

  4、 表面张力（dyne/cm）：无可用

  5、 极化率：无可用

• 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:6

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积98.7

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:386

  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:3

• 更多:

  1. 性状：无可用

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：无可用

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

生物活性

• 描述: 4-甲基伞形花序基磷酸酯(4-MUP)二钠是一种阴离子有机磷酸盐,是一种酸性和碱性磷酸酶荧光底物。4-甲基延胡索磷酸二钠也是一种神经毒剂模拟物[1][2][3]。
• 相关类别:
  信号通路 >> 代谢酶/蛋白酶 >> 磷酸酶
  研究领域 >> 其他
• 体外研究: 指南(以下是我们推荐的方案。该方案仅提供指南,应根据您的具体需要进行修改)。血清酸性磷酸酶测定[1]：1.制备100μL含有以下试剂的溶液：5.0μL血清酶,50μL 4-甲基伞形草酰磷酸(5.0 mM),10μL 1.0 M缓冲液,pH 6.0。2.添加以下试剂(最终浓度)20 mM酒石酸钠(HY-128476),15 mM氟化钠(HY-B1766),3000 mM 2-巯基乙醇,4 mM 1,10菲咯啉(HY-W004544)、6 mM 8-喹啉醇(HY-B1005)、6 m M 8-羟基-5-喹啉磺酸、45 mM EDTA(HY-Y0682)和6 mM EGTA(HY-D0861)。3.在37℃下培养反应混合物15分钟,并通过添加2.9 mL 0.1 M氢氧化铵/甘氨酸缓冲液(pH 10.5)终止。4.彻底混合样品并用荧光计测定荧光。
• 参考文献:

  [1]. Chambers JP, et al. Determination of serum acid phosphatase in Gaucher's disease using 4-methylumbelliferyl phosphate. Clin Chim Acta. 1977 Oct 1;80(1):67-77.

  [2]. Watanabe F, et al. The analysis of alkaline phosphatase isoenzyme using 4-methylumbelliferyl phosphate as substrate on a cellulose acetate membrane. Clin Chim Acta. 1979 Feb 1;91(3):273-6.

  [3]. Hao Chen, et al. Autonomic Molecular Transport for Ultrasensitive Surface-Enhanced Infrared Absorption Spectroscopy. ACS Appl. Polym. Mater. 2020, 2, 9, 3929-3935

MSDS

Name: 4-Methylumbelliferylphosphate disodium salt trihydrate 99% Material Safety Data Sheet Synonym: None Known CAS: 22919-26-2 Section 1 - Chemical Product MSDS Name:4-Methylumbelliferylphosphate disodium salt trihydrate 99% Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 22919-26-2 4-Methylumbelliferylphosphate disodium 99% 245-325-0 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Light sensitive.Moisture sensitive.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid. Skin: In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse. Ingestion: If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid. Inhalation: If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Store protected from light. Keep from contact with moist air and steam. Storage: Store in a tightly closed container. Keep refrigerated. (Store below 4C/39F.) Store protected from light. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 22919-26-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystalline powder Color: white to off-white Odor: odorless pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: soluble in water Specific Gravity/Density: Molecular Formula: C10H7Na2O6P.3H2O Molecular Weight: 354.16 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Moisture sensitive. Light sensitive. Conditions to Avoid: Light, excess heat, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of phosphorus, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 22919-26-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Methylumbelliferylphosphate disodium salt trihydrate - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 22919-26-2: No information available. Canada CAS# 22919-26-2 is listed on Canada's DSL List. CAS# 22919-26-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 22919-26-2 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 风险声明 (欧洲): 22-24/25
• 安全声明 (欧洲): S22-S24/25
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2932209090

海关

海关编码	2932209090
中文概述	2932209090. 其他内酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%