78266-06-5

• 常用中文名：美溴非林
• 常用英文名：(3-bromo-2,4,6-trimethylphenylcarbamoyl)methyliminodiacetic acid
• CAS号：78266-06-5
• 分子式：C₁₅H₁₉BrN₂O₅
• 分子量：387.22600
• 相关类别： 分析化学 标准品 药典标准品和杂志标准品
• 发布时间：2018-05-07 08:00:00
• 更新时间：2024-01-10 20:37:07
• Mebrofenin (SQ 26962) 是亚氨基二乙酸 (IDA) 的一种。Mebrofenin 可用作 Tc-99m 的放射性标记试剂盒。Tc-99m Mebrofenin 是一种诊断剂,用于肝胆显像。Tc-99m Mebrofenin 是评价肝功能的首选放射性药物。

名称

• 中文名: 美溴非林
• 英文名: 2-[[2-(3-bromo-2,4,6-trimethylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
• 中文别名: N-(3-溴-2,4,6-三甲基苯基甲酰甲基)乙酰乙酸; (3-溴-2,4,6-三甲基苯氨羰基)甲基亚氨基二乙酸; 甲溴菲宁
• 英文别名: UNII-7PV0B6ED98; MEBROFENIN; MFCD00216974; Choletec; EINECS 278-877-6

物化性质

• 密度: 1.5766 (rough estimate)
• 沸点: 577.4ºC at 760 mmHg
• 熔点: 193-198ºC
• 分子式: C₁₅H₁₉BrN₂O₅
• 分子量: 387.22600
• 闪点: 303ºC
• 精确质量: 386.04800
• PSA: 106.94000
• LogP: 1.85700
• 折射率: 1.6520 (estimate)
• 储存条件:

  存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。

• 稳定性:

  远离氧化物。

• 水溶解性: Soluble in dimethylsulphoxide and ethanol. Insoluble in water.
• 分子结构:

  1、 摩尔折射率：88.07

  2、 摩尔体积（m³/mol）：250.0

  3、 等张比容（90.2K）：702.8

  4、 表面张力（dyne/cm）：62.4

  5、 介电常数：

  6、 偶极距（10 ^-24cm ³）：

  7、 极化率：34.91

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-0.1

  2.氢键供体数量:3

  3.氢键受体数量:6

  4.可旋转化学键数量:7

  5.互变异构体数量:3

  6.拓扑分子极性表面积107

  7.重原子数量:23

  8.表面电荷:0

  9.复杂度:443

  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

• 更多:

  1. 性状：白色粉末。

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：193-198

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：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：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：未确定 。

生物活性

• 描述: Mebrofenin (SQ 26962) 是亚氨基二乙酸 (IDA) 的一种。Mebrofenin 可用作 Tc-99m 的放射性标记试剂盒。Tc-99m Mebrofenin 是一种诊断剂,用于肝胆显像。Tc-99m Mebrofenin 是评价肝功能的首选放射性药物。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他
• 体外研究: Tc-99mMebrofenin是一种99mTc标记的亚氨基二乙酸(IDA)衍生物,最初用于多种胆道疾病的诊断,最近用于肝功能评估[3]。
• 参考文献:

  [1]. Matthews R, et al. Tc-99m mebrofenin hepatobiliary scan in obstructive hepatobiliary disease: determining causes with early and late delayed imaging. World J Nucl Med. 2013 May;12(2):54-6.

  [2]. Morandi F, et al. Transsplenic portal scintigraphy using 99mTc-mebrofenin in normal dogs. Vet Radiol Ultrasound. 2007 May-Jun;48(3):286-91.

  [3]. de Graaf W, et al. Transporters involved in the hepatic uptake of (99m)Tc-mebrofenin and indocyanine green. J Hepatol. 2011 Apr;54(4):738-45.

MSDS

Name: N-(3-Bromo-2 4 6-Trimethylphenylcarbamoylmethyl)Iminodiacetic Acid Material Safety Data Sheet Synonym: Mebrofenin CAS: 78266-06-5 Section 1 - Chemical Product MSDS Name:N-(3-Bromo-2 4 6-Trimethylphenylcarbamoylmethyl)Iminodiacetic Acid Material Safety Data Sheet Synonym:Mebrofenin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 78266-06-5 N-(3-Bromo-2,4,6-Trimethylphenylcarbam 98 278-877-6 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW 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: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: 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 agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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# 78266-06-5: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystalline powder Color: light beige Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 193.00 - 198.00 deg C Autoignition Temperature: Not applicable. Flash Point: 196 deg C ( 384.80 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: 196 deg C Solubility in water: soluble in methanol and ethanol Specific Gravity/Density: Molecular Formula: C15H19BrN2O5 Molecular Weight: 387.22 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen bromide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 78266-06-5: MB9121850 LD50/LC50: Not available. Carcinogenicity: N-(3-Bromo-2,4,6-Trimethylphenylcarbamoylmethyl)Iminodiacetic Acid - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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 Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: 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. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 78266-06-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 78266-06-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 78266-06-5 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1 、急性毒性：大鼠（腹膜）LD50：484 mg/kg 大鼠（静脉）LD50：226 mg/kg 小鼠（静脉）LD50：214 mg/kg 由于食盐的LD50是3,000 mg/kg，BPA的急性毒性程度与食盐同。 生态学数据: 对水稍微有危害的，不要让未稀释或者大量产品接触地下水，水道或者污水系统。若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : MB9121850 CHEMICAL NAME : Glycine, N-(2-((3-bromo-2,4,6-trimethylphenyl)amino)-2-oxoethy l)-N-(carboxymethyl)- CAS REGISTRY NUMBER : 78266-06-5 LAST UPDATED : 199009 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C15-H19-Br-N2-O5 MOLECULAR WEIGHT : 387.27 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 484 mg/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory depression REFERENCE : CITCDE Zhonghua Heyixue Zazhi. Chinese Journal of Nuclear Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1981- Volume(issue)/page/year: 4,214,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 226 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold REFERENCE : CITCDE Zhonghua Heyixue Zazhi. Chinese Journal of Nuclear Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1981- Volume(issue)/page/year: 4,214,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 214 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold REFERENCE : CITCDE Zhonghua Heyixue Zazhi. Chinese Journal of Nuclear Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1981- Volume(issue)/page/year: 4,214,1984

安全

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 24/25
• 危险品运输编码: NONH for all modes of transport
• RTECS号: MB9121850
• 海关编码: 2924299090

海关

海关编码	2924299090
中文概述	2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 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:30.0%
申报要素	品名, 成分含量, 用途, 包装
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%