美溴非林 | 78266-06-5

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 美溴非林
• 中文别名: (3-溴-2,4,6-三甲基苯氨羰基)甲基亚氨基二乙酸；甲溴菲宁；N-(3-溴-2,4,6-三甲基苯基甲酰甲基)乙酰乙酸
• 英文名称: [99Tc]-Mebrofenin
• 英文别名: Mebrofenin；N-[2-[(3-bromo-2,4,6-trimethylphenyl)amino]-2-oxoethyl]-N-(carboxymethyl)glycine；N-(3-bromo-2,4,6-trimethylacetanilide)iminodiacetic acid；2,2'-[[2-[(3-bromo-2,4,6-trimethylphenyl)amino]-2-oxoethyl]imino]bisacetic acid；N-(3-bromo-2,4,6-trimethylphenylcarbamoylmethyl) iminodiacetic acid；2-[[2-(3-bromo-2,4,6-trimethylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
• CAS: 78266-06-5
• 化学式: C₁₅H₁₉BrN₂O₅
• mdl: MFCD00216974
• 分子量: 387.23
• InChiKey: MHPZZZZLAQGTHT-UHFFFAOYSA-N

物化性质

• 熔点：
  193-198 °C
• 沸点：
  577.4±50.0 °C(Predicted)
• 密度：
  1.5766 (rough estimate)
• 稳定性/保质期：
  远离氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  6

安全信息

• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• 海关编码：
  2924299090
• WGK Germany：
  3

SDS

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

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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.

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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.

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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:

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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.

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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.

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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.

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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.

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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

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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

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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.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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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:

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

生物活性

Mebrofenin（SQ 26962）是一种亚氨基二乙酸（IDA）的衍生物，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，并且是评价肝功能的首选放射性药物。

体外研究

Tc-99m Mebrofenin 是一种带有 (^{99m}) Tc 标记的亚氨基二乙酸（IDA）衍生物，最初用于诊断多种胆道疾病，最近还被用来评估肝脏功能。

反应信息

• 作为反应物：
  描述：

  美溴非林 、 lutetium(III) chloride hexahydrate 在 盐酸 、 sodium hydroxide 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  GaIII、YIII 和 LuIII 与 Etifenin 和类似物的复合物的合成和表征

  摘要：

  合成了 etifenin (1a)、disofenin (1b) 和 mebrofenin (1c) 与 GaIII、YIII 和 LuIII 的复合物，并通过 NMR 光谱和 UV/Vis 光谱表征。1a 复合物的稳定性和质子化常数通过电位测定法确定，并计算了分布图。结果表明，YIII 和 LuIII 物质在较高 pH 下作为双螯合物最稳定，而 GaIII 复合物在 pH < 4.5 时降解。

  DOI：

  10.1002/zaac.201600016
• 作为产物：
  描述：

  次氮基三乙酸 、 3-溴-2,4,6-三甲基苯胺 在 乙酸酐 作用下， 以 吡啶 、 sodium hydroxide 、 乙醇 、 水 为溶剂， 生成 美溴非林
  参考文献：
  名称：

  N-Substituted iminodiacetic acids

  摘要：

  选择公式组中具有以下公式##STR1##或其药学上可接受的水溶性盐中的一种化合物与锝-99m的络合物，其中R.sub.1和R.sub.4各自独立地为氢，甲基或乙基；R.sub.2和R.sub.3中的一个是1至4个碳的烷基，另一个是溴或碘；n为0，1或2，对于肝胆系统的外部成像是有用的。

  公开号：

  US04418208A1

文献信息

• [EN] PHENOTHIAZINE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE PHÉNOTHIAZINE ET LEURS UTILISATIONS
  申请人：CAMP4 THERAPEUTICS CORP

  公开号：WO2019195789A1

  公开（公告）日：2019-10-10

  The present invention provides phenothiazine compounds, processes for their preparation, pharmaceutical compositions comprising the compounds, and the use of the compounds or the compositions in the treatment of various diseases or conditions, for example ribosomal disorders and ribosomopathies, e.g. Diamond Blackfan anemia (DBA).

  本发明提供了吩噻嗪化合物，其制备方法，包含该化合物的药物组合物，以及在治疗各种疾病或症状中使用该化合物或组合物，例如核糖体紊乱和核糖体病，例如钻石-布莱克范贫血（DBA）。
• MULTIFUNCTIONAL SMALL MOLECULES
  申请人：Baker, JR. James R.

  公开号：US20120259114A1

  公开（公告）日：2012-10-11

  The present invention relates to dendrimer synthesis. Specifically, the present invention relates to triazine scaffolds capable of click chemistry for one-step synthesis of functionalized dendrimers, and methods of making and using the same.

  本发明涉及树枝状大分子的合成。具体而言，本发明涉及能够进行点击化学的 三嗪支架，用于一步法合成功能化树枝状大分子，以及制造和使用该支架的方法。
• Diagnostic or therapeutic somatostatin or bombesin analog conjugates and uses thereof
  申请人：Coy H. David

  公开号：US20050070470A1

  公开（公告）日：2005-03-31

  Disclosed are peptide agents and uses thereof that are analogs of biologically active peptides such as somatostatin and bombesin. The compounds of the invention have the general formula X-Y-Z-Q, where X is a cytotoxic agent, therapeutic agent, detectable label or chelating group, and Q is a biologically active peptide. In peptide agents of the invention Y is optionally a hydrophilic polymer or peptide, and Z is a linking peptide bonded to Q at the amino terminus of Q, having two, three, four, or five, amino acid residues selected to link X to Q, while retaining the biological activity of Q. Methods of using these peptide agents in the diagnosis and treatment of diseases are also disclosed.

  披露了肽剂及其用途，它们是生物活性肽的类似物，例如生长抑素和蛙皮素。发明的化合物具有通式X-Y-Z-Q，其中X是细胞毒素、治疗剂、可检测的标签或螯合基团，Q是生物活性肽。在发明的肽剂中，Y是可选的水溶性聚合物或肽，Z是与Q的氨基端连接的连接肽，具有两个、三个、四个或五个氨基酸残基，选择将X连接到Q，同时保留Q的生物活性。还披露了使用这些肽剂在疾病的诊断和治疗中的方法。
• LIGHT INDUCED DRUG RELEASE
  申请人：Bonnet Sylvestre

  公开号：US20140148425A1

  公开（公告）日：2014-05-29

  Photosensitive compounds for use in a method of treating a disease or condition are described. The photosensitive compounds have the formula R—Y, wherein R is a ruthenium complex and Y is at least one sulphur-containing photoreleasable group, and the compounds comprise at least one ruthenium-sulphur bond; or a pharmaceutically acceptable salt, solvate, ester or amide, such that upon influence of visible or near infra-red light (400-1400 nm) in vivo, said at least one ruthenium-sulphur bond is broken, thereby generating a pharmacologically active compound.

  描述了用于治疗疾病或症状的一种方法中使用的光敏化合物。这些光敏化合物具有R—Y的化学式，其中R是一个钌配合物，Y是至少一个含硫光释放基团，这些化合物包括至少一个钌-硫键；或者是药用可接受的盐、溶剂合物、酯或酰胺，因此，在体内受到可见光或近红外光（400-1400纳米）的影响时，所述至少一个钌-硫键被断裂，从而产生一种药理活性化合物。
• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。