78967-07-4

• 常用中文名：莫非佐酸
• 常用英文名：Mofezolac
• CAS号：78967-07-4
• 分子式：C₁₉H₁₇NO₅
• 分子量：339.34200
• 相关类别： 信号通路 免疫及炎症 COX
• 发布时间：2018-03-03 08:00:00
• 更新时间：2024-01-14 11:13:29
• 莫非唑酸是一种非甾体抗炎药(NSAID),是一种选择性、可逆的口服活性COX-1抑制剂,IC50为1.44 nM。莫非唑酸对COX-2的抑制活性较弱(IC50为447nm)。莫非佐拉可缓解疼痛,并具有抗炎作用[1]。

名称

• 中文名: 莫非佐酸
• 英文名: 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid
• 中文别名: 莫苯唑酸
• 英文别名: mofezolac; N-22

物化性质

• 密度: 1.25g/cm3
• 沸点: 527.2ºC at 760 mmHg
• 分子式: C₁₉H₁₇NO₅
• 分子量: 339.34200
• 闪点: 272.7ºC
• 精确质量: 339.11100
• PSA: 81.79000
• LogP: 3.65290
• 外观性状: 浅黄色固体
• 折射率: 1.579
• 储存条件: -20℃

生物活性

• 描述: 莫非唑酸是一种非甾体抗炎药(NSAID),是一种选择性、可逆的口服活性COX-1抑制剂,IC50为1.44 nM。莫非唑酸对COX-2的抑制活性较弱(IC50为447nm)。莫非佐拉可缓解疼痛,并具有抗炎作用[1]。
• 相关类别:
  研究领域 >> 炎症/免疫
  信号通路 >> 免疫及炎症 >> COX
• 靶点:

  COX-1:1.44 nM (IC50)

  COX-2:447 nM (IC50)

• 体外研究: 在人富血小板血浆(hPRP)测定中,莫非佐拉抑制血小板聚集的IC50为0.45μM[2]。当与蛋白酶体抑制剂硼替佐米联合给药时,莫非唑酸略微增加硼替佐米对多发性骨髓瘤(MM)细胞系(NCI-H929和RPMI-8226)的细胞毒性作用,并影响MM细胞周期和凋亡[2]。
• 体内研究: 莫非佐拉(1-30mg/kg；口服给药；一次)治疗可抑制小鼠腹腔注射苯基对苯醌引起的扭体[1]。动物模型：雌性ddY小鼠(4周龄,18-27g)注射苯基对苯醌(PQ)[1]剂量：1mg/kg,3mg/kg,10mg/kg,30mg/kg给药：口服；一次性结果：剂量依赖性地抑制注射PQ引起的小鼠扭体反应。
• 参考文献:

  [1]. K Goto, et al. Analgesic effect of mofezolac, a non-steroidal anti-inflammatory drug, against phenylquinone-induced acute pain in mice. Prostaglandins Other Lipid Mediat. 1998 Jul;56(4):245-54.

  [2]. Maria Laura Pati, et al. Translational impact of novel widely pharmacological characterized mofezolac-derived COX-1 inhibitors combined with bortezomib on human multiple myeloma cell lines viability. Eur J Med Chem. 2019 Feb 15;164:59-76.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : NY2101000 CHEMICAL NAME : 5-Isoxazoleacetic acid, 3,4-bis(4-methoxyphenyl)- CAS REGISTRY NUMBER : 78967-07-4 LAST UPDATED : 199612 DATA ITEMS CITED : 13 MOLECULAR FORMULA : C19-H17-N-O5 MOLECULAR WEIGHT : 339.37 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 : 887 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 342 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 510 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - coma Behavioral - antipsychotic TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1528 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - coma Behavioral - antipsychotic TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 275 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - coma Behavioral - antipsychotic TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 545 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 800 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 18200 mg/kg/91D-I TOXIC EFFECTS : Kidney, Ureter, Bladder - other changes in urine composition Endocrine - changes in spleen weight Nutritional and Gross Metabolic - changes in chlorine TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 1820 mg/kg/91D-I TOXIC EFFECTS : Gastrointestinal - peritonitis Endocrine - changes in thymus weight Blood - changes in erythrocyte (RBC) count TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 1650 mg/kg SEX/DURATION : female 7-17 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 2600 mg/kg SEX/DURATION : female 17-21 day(s) after conception lactating female 21 day(s) post-birth TOXIC EFFECTS : Reproductive - Maternal Effects - parturition Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Effects on Newborn - stillbirth TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 2600 mg/kg SEX/DURATION : female 6-18 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetal death MUTATION DATA TYPE OF TEST : Cytogenetic analysis TEST SYSTEM : Rodent - hamster Lung DOSE/DURATION : 600 mg/L REFERENCE : JTSCDR Journal of Toxicological Sciences. (Japanese Soc. of Toxicological Sciences, 4th Floor, Gakkai Center Bldg., 4-16, Yayoi 2-chome, Bunkyo-ku, Tokyo 113, Japan) V.1- 1976- Volume(issue)/page/year: 15(Suppl 2),239,1990

合成路线

131454-49-4 ~% 78967-07-4

文献：US5310926 A1, ;

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