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氟尼酸

氟尼酸用途

Niflumic acid是钙离子激活的氯离子通道阻断剂,可作用于风湿性关节炎。

氟尼酸名称

[ CAS 号 ]:
4394-00-7

[ 中文名 ]:
氟尼酸

[ 英文名 ]:
Niflumic acid

[中文别名 ]:

[英文别名 ]:

EINECS 224-516-2
MFCD00010569
2-(3-Trifluoromethyl-phenylamino)-; nicotinic acid
Niflumic acid
2-(a,a,a-Trifluoro-m-toluidino)nicotinic Acid
2-{[3-(Trifluoromethyl)phenyl]amino}nicotinic acid
2-(3-TrifluoroMethylanilino)nicotinic Acid
2-((3-(Trifluoromethyl)phenyl)amino)nicotinic acid
2-[(3-Trifluoromethylphenyl)amino]nicotinic Acid

氟尼酸生物活性

[ 描述 ]:

Niflumic acid是钙离子激活的氯离子通道阻断剂,可作用于风湿性关节炎。

[ 相关类别 ]:

信号通路 >> 跨膜转运 >> 氯离子通道

研究领域 >> 炎症/免疫

[参考文献]

[1]. Criddle, D.N., et al., Inhibitory action of niflumic acid on noradrenaline- and 5-hydroxytryptamine-induced pressor responses in the isolated mesenteric vascular bed of the rat. Br J Pharmacol, 1997. 120(5): p. 813-8.

[2]. Jabeen, T., et al., Non-steroidal anti-inflammatory drugs as potent inhibitors of phospholipase A2: structure of the complex of phospholipase A2 with niflumic acid at 2.5 Angstroms resolution. Acta Crystallogr D Biol Crystallogr, 2005. 61(Pt 12): p. 1579-

[3]. Picollo, A., et al., Mechanism of interaction of niflumic acid with heterologously expressed kidney CLC-K chloride channels. J Membr Biol, 2007. 216(2-3): p. 73-82.

[相关活性小分子]

氟尼酸物理化学性质

[ 密度 ]:
1.4±0.1 g/cm3

[ 沸点 ]:
378.0±42.0 °C at 760 mmHg

[ 熔点 ]:
203-204ºC

[ 分子式 ]:
C₁₃H₉F₃N₂O₂

[ 分子量 ]:
282.218

[ 闪点 ]:
182.4±27.9 °C

[ 精确质量 ]:
282.061615

[ PSA ]:
62.22000

[ LogP ]:
4.94

[ 外观性状 ]:
白色至灰白色结晶粉末

[ 蒸汽压 ]:
0.0±0.9 mmHg at 25°C

[ 折射率 ]:
1.589

[ 储存条件 ]:
Store at RT

[ 水溶解性 ]:
Soluble in ethanol (~50 mg/ml), acetone (50 mg/ml, Clear to Slightly Hazy, Yellow), methanol (~50 mg/ml), DMSO (56 mg/ml at 25°C), and acetonitrile (~50 mg/ml).

氟尼酸MSDS

氟尼酸毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QT2999100

CHEMICAL NAME :: Nicotinic acid, 2-(alpha,alpha,alpha-trifluoro-m-toluidino)-

CAS REGISTRY NUMBER :: 4394-00-7

BEILSTEIN REFERENCE NO. :: 0489360

LAST UPDATED :: 199612

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C13-H9-F3-N2-O2

MOLECULAR WEIGHT :: 282.24

WISWESSER LINE NOTATION :: T6NJ BMR CXFFF& CVQ

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 :: 250 mg/kg

TOXIC EFFECTS :: Behavioral - analgesia Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 16,780,1973

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 155 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 19,135,1976

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 350 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4122202

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 196 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 68,683,1972

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 152 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 22,157,1967 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 100 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

氟尼酸安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H302 + H312 + H332-H315-H319-H335

[ 警示性声明 ]:
P261-P280-P301 + P312 + P330-P305 + P351 + P338

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ 危害码 (欧洲) ]:
Xn:Harmful;

[ 风险声明 (欧洲) ]:
R20/21/22;R36/37/38

[ 安全声明 (欧洲) ]:
S26-S36/37/39

[ 危险品运输编码 ]:
UN 2811 6.1/PG 3

[ WGK德国 ]:
3

[ RTECS号 ]:
QT2999100

[ 包装等级 ]:
Ⅲ

[ 海关编码 ]:
2933399090

氟尼酸合成路线

氟尼酸上下游产品

氟尼酸上游产品

氟尼酸下游产品

氟尼酸制备

由2-氯代吡啶-3-羧酸和间三氟甲基苯胺为原料制得。

氟尼酸海关

[ 海关编码 ]: 2933399090

[ 中文概述 ]:
2933399090. 其他结构含非稠合吡啶环的化合物. 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:20.0%

[ 申报要素 ]: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

[ Summary ]:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

氟尼酸文献

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Probenecid, a widely used uricosuric agent, is mainly metabolized to probenecid acyl glucuronide (PRAG), which is considered a causal substance of severe allergic or anaphylactoid reactions. PRAG can ...

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Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.

Chem. Res. Toxicol. 23 , 171-83, (2010)

Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental...

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氟尼酸