644-62-2

• 常用中文名：甲氯芬那酸
• 常用英文名：meclofenamic acid
• CAS号：644-62-2
• 分子式：C₁₄H₁₁Cl₂NO₂
• 分子量：296.149
• 相关类别： 原料药 解热镇痛药 非甾抗炎药
• 发布时间：2018-07-30 21:53:17
• 更新时间：2024-01-06 01:04:06
• Meclofenamic acid是一种非甾体抗炎药 (NSAID),被批准用于关节炎 (骨关节炎和类风湿性关节炎)、镇痛 (轻度至中度疼痛)、痛经和严重月经失血(月经过多)。Meclofenamic acid是一种非选择性的 gap-junction 阻断剂,是一种高选择性的脂肪和肥胖相关酶 (FTO) 抑制剂。

名称

• 中文名: 甲氯芬那酸
• 英文名: meclofenamic acid
• 中文别名: 2-[(2,6-二氯-3-甲基苯基)氨基]苯甲酸; 甲氯灭酸
• 英文别名: meclofenamate; Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-; 2-(2,6-dichloro-3-methylanilino)benzoic acid; 2-[(2,6-Dichloro-3-methylphenyl)amino]benzoic acid; Benzoic acid, 2-[(2,6-dichloro-3-methylphenyl)amino]-; meclofenamic acid

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 399.4±42.0 °C at 760 mmHg
• 熔点: 257-259ºC
• 分子式: C₁₄H₁₁Cl₂NO₂
• 分子量: 296.149
• 闪点: 195.3±27.9 °C
• 精确质量: 295.016693
• PSA: 49.33000
• LogP: 6.67
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.663
• 储存条件: Refrigerator
• 计算化学:

  1.疏水参数计算参考值（XlogP）:5.2

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:3

  5.互变异构体数量:4

  6.拓扑分子极性表面积:49.3

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:327

  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

生物活性

• 描述: Meclofenamic acid是一种非甾体抗炎药 (NSAID),被批准用于关节炎 (骨关节炎和类风湿性关节炎)、镇痛 (轻度至中度疼痛)、痛经和严重月经失血(月经过多)。Meclofenamic acid是一种非选择性的 gap-junction 阻断剂,是一种高选择性的脂肪和肥胖相关酶 (FTO) 抑制剂。
• 参考文献:

  [1]. Conroy MC, et al. Pharmacology, pharmacokinetics, and therapeutic use of meclofenamate sodium. Clin J Pain. 1991;7 Suppl 1:S44-8.

  [2]. Eleftheriou CG, et al. Meclofenamic acid improves the signal to noise ratio for visual responses produced by ectopicexpression of human rod opsin. Mol Vis. 2017 Jun 16;23:334-345. eCollection 2017.

  [3]. Huang Y, et al. Meclofenamic acid selectively inhibits FTO demethylation of m6A over ALKBH5. Nucleic Acids Res. 2015 Jan;43(1):373-84.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : CB2900000 CHEMICAL NAME : Anthranilic acid, N-(2,6-dichloro-m-tolyl)- CAS REGISTRY NUMBER : 644-62-2 LAST UPDATED : 199703 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C14-H11-Cl2-N-O2 MOLECULAR WEIGHT : 296.16 WISWESSER LINE NOTATION : QVR BMR BG FG C1 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 : 100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AGACBH Agents and Actions, A Swiss Journal of Pharmacology. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1969/70- Volume(issue)/page/year: 7,481,1977 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 109 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 148,422,1965 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intrauterine DOSE : 239 ng/kg SEX/DURATION : female 4 day(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) REFERENCE : JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 63,365,1981 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 200 mg/kg SEX/DURATION : female 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - other measures of fertility REFERENCE : FESTAS Fertility and Sterility. (American Fertility Soc., 608 13th Ave. S, Birmingham, AL 35282) V.1- 1950- Volume(issue)/page/year: 38,238,1982 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intramuscular DOSE : 2750 ug/kg SEX/DURATION : female 1-3 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated) Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) REFERENCE : BIREBV Biology of Reproduction. (Soc. for the Study of Reproduction, 309 W. Clark St., Champaign, IL 61820) V.1- 1969- Volume(issue)/page/year: 14,451,1976 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 15 mg/kg SEX/DURATION : female 16 week(s) after conception TOXIC EFFECTS : Reproductive - Maternal Effects - parturition REFERENCE : JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 65,157,1982

安全

• 海关编码: 2922499990

合成路线

3254-79-3 ~% 644-62-2

文献：US5462952 A1, ; US 5462952 A

64063-37-2 445-29-4 ~% 644-62-2

文献：US2004/39208 A1, ;

64063-37-2 118-91-2 ~17% 644-62-2

文献：Pellon, Rolando F.; Carrasco, Ramon; Marquez, Tania; Mamposo, Taimirys Tetrahedron Letters, 1997 , vol. 38, # 29 p. 5107 - 5110

13625-29-1 ~% 644-62-2

文献：Journal of Medicinal Chemistry, , vol. 11, # 1 p. 111 - 117

64063-37-2 1488-42-2 ~70% 644-62-2

文献：Kovala-Demertzi, Dimitra; Staninska, Malgorzata; Garcia-Santos, Isabel; Castineiras, Alfonso; Demertzis, Mavroudis A. Journal of Inorganic Biochemistry, 2011 , vol. 105, # 9 p. 1187 - 1195

64063-37-2 16497-87-3 ~% 644-62-2

文献：Arzneimittel-Forschung/Drug Research, , vol. 33, # 4 A p. 621 - 627

6385-02-0 ~% 644-62-2

文献：Crystal Growth and Design, , vol. 12, # 4 p. 2023 - 2036

海关

海关编码	2922499990
中文概述	2922499990 其他氨基酸及其酯及它们的盐（含有一种以上含氧基的除外）. 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	P.进境动植物、动植物产品检疫 Q.出境动植物、动植物产品检疫 R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%