87344-06-7

• 常用中文名：呱氨托美丁
• 常用英文名：Amtolmetin guacil
• CAS号：87344-06-7
• 分子式：C₂₄H₂₄N₂O₅
• 分子量：420.458
• 相关类别： 信号通路 G 蛋白偶联受体/G 蛋白 前列腺素受体
• 发布时间：2018-06-22 22:34:05
• 更新时间：2024-01-02 12:36:58
• 氨甲喋呤-瓜氨酸是一种有效的非甾体抗炎药,具有镇痛作用。Amtolmetin guacil抑制前列腺素合成和环氧合酶(COX)。Amtolmetin guacil可以刺激胃肠道壁上的辣椒素受体,并释放胃保护性一氧化氮(NO)。Amtolmetin guacil可用于研究膝关节骨关节炎[1][2]。

名称

• 中文名: 哌氨托美丁
• 英文名: 2-Methoxyphenyl 2-(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetamido)acetate
• 中文别名: 2-甲氧苯基 2-(1-甲基-5-(4-甲基苯甲酰)-1H-吡咯-2-乙酰氨基乙酸酯; 呱氨托美丁
• 英文别名: 2-Methoxyphenyl N-{[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetyl}glycinate; amtolmetin guacil; Glycine, N-[2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetyl]-, 2-methoxyphenyl ester; MFCD00866153

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 663.3±55.0 °C at 760 mmHg
• 熔点: 117-120ºC
• 分子式: C₂₄H₂₄N₂O₅
• 分子量: 420.458
• 闪点: 354.9±31.5 °C
• 精确质量: 420.168518
• PSA: 86.63000
• LogP: 1.98
• 外观性状: 白色针状晶体
• 蒸汽压: 0.0±2.0 mmHg at 25°C
• 折射率: 1.583
• 储存条件: 室温，干燥

生物活性

• 描述: 氨甲喋呤-瓜氨酸是一种有效的非甾体抗炎药,具有镇痛作用。Amtolmetin guacil抑制前列腺素合成和环氧合酶(COX)。Amtolmetin guacil可以刺激胃肠道壁上的辣椒素受体,并释放胃保护性一氧化氮(NO)。Amtolmetin guacil可用于研究膝关节骨关节炎[1][2]。
• 相关类别:
  信号通路 >> 免疫及炎症 >> 一氧化氮合酶
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 前列腺素受体
  研究领域 >> 炎症/免疫
  信号通路 >> 免疫及炎症 >> COX
• 靶点:

  Prostaglandin receptor, COX, NO[1][2]

• 体外研究: 在大鼠新鲜血浆和大鼠肝微粒体中,氨甲酰胍(100μM；0-60分钟)与MED5(1-甲基-5-对甲基苯甲酰基-吡咯-2-乙酰氨基乙酸)一起转化为TMT(托尔梅汀,HY-B1799),快速转化为MED5和MED5甲酯,而在人新鲜血浆和人肝微粒体内不产生TMT[3]。
• 体内研究: 动物模型：雄性Wistar大鼠[3]剂量：50 mg/kg给药：p.o。；单剂量结果：Amtolmetin guacil在雄性Wistar大鼠体内的药代动力学参数[3]。AUC0-t(ng/mL·h)AUC0-∞ (ng/mL·h)Cmax(μg/mL)Tmax(h)Kel(h-1)t1/2,β

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: Amtolmetin guacil Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:Amtolmetin guacil CAS number:87344-06-7 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Store in closed vessels. Storage: Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C24H24N2O5 Molecular weight:420.5 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : MC0598400 CHEMICAL NAME : Glycine, N-((1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acety l)-, 2-methoxyphenyl ester CAS REGISTRY NUMBER : 87344-06-7 LAST UPDATED : 199512 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C24-H24-N2-O5 MOLECULAR WEIGHT : 420.50 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1450 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BAXXDU British UK Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2115417 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BAXXDU British UK Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2115417 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >1500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BAXXDU British UK Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2115417 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1370 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BAXXDU British UK Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2115417

安全

• 危害码 (欧洲): Xi