23779-99-9

• 常用中文名：弗洛非宁
• 常用英文名：floctafenine
• CAS号：23779-99-9
• 分子式：C₂₀H₁₇F₃N₂O₄
• 分子量：406.35500
• 相关类别： 原料药 解热镇痛药 镇痛药
• 发布时间：2018-06-11 21:36:15
• 更新时间：2024-01-02 15:58:33
• 非甾体抗炎药(NSAID)氟西汀是一种有效的镇痛剂[1][2]。氟曲他芬是体外COX-1和COX-2活性的抑制剂,显示出对COX-I稍高的效力。氟氯他芬用于短期疼痛治疗的研究[3]。

名称

• 中文名: 夫洛非宁
• 英文名: 2,3-dihydroxypropyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
• 英文别名: Idarac; Idalon; Floctafeninum [INN-Latin]; R 4318; Diralgan; 4-[o-(2',3'-dihydroxypropyloxycarbonyl)-phenyl]-amino-8-trifluoromethyl-quinoline; Novodolan; Floctafenina [INN-Spanish]; Floctafenine

物化性质

• 密度: 1.437g/cm3
• 沸点: 592.1ºC at 760 mmHg
• 熔点: 179-180°
• 分子式: C₂₀H₁₇F₃N₂O₄
• 分子量: 406.35500
• 闪点: 311.9ºC
• 精确质量: 406.11400
• PSA: 91.68000
• LogP: 3.58020
• 蒸汽压: 7.26E-15mmHg at 25°C
• 折射率: 1.63
• 储存条件: 2-8°C，密封，干燥

生物活性

• 描述: 非甾体抗炎药(NSAID)氟西汀是一种有效的镇痛剂[1][2]。氟曲他芬是体外COX-1和COX-2活性的抑制剂,显示出对COX-I稍高的效力。氟氯他芬用于短期疼痛治疗的研究[3]。
• 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

  COX-2

• 体外研究: 氟甲芬(0.1-100μM；在LPS存在下；血小板COX-I和单核细胞COX-2抑制的IC50值在肝素化全血样本中分别为2.33μM(95%CI)和3.47μM(95%CI)[3]。氟甲芬(0.1-100μM；在A23187在场的情况下；1小时)不会显著影响A23187引起的LTB4生成,即使高达100μM[3]。
• 体内研究: 氟曲他芬(腹腔注射；50mg/kg；单剂量；对苯醌前30分钟)对对苯醌诱导的大鼠扭体有抑制作用,对扭体的抑制率为65.98%[1]。
• 参考文献:

  [1]. P Giuseppe, et al. Floctafenine: a valid alternative in patients with adverse reactions to nonsteroidal anti-inflammatory drugs. Ann Allergy Asthma Immunol. 1997 Jan;78(1):74-8.

  [2]. Gehan Hegazy Hegazy, et al. Synthesis of some floctafenine derivatives of expected anti-inflammatory/analgesic activity. Arch Pharm (Weinheim). 2005 Aug;338(8):378-84.

  [3]. R Maenthaisong, et al. Clinical pharmacology of cyclooxygenase inhibition and pharmacodynamic interaction with aspirin by floctafenine in Thai healthy subjects.Int J Immunopathol Pharmacol. Apr-Jun 2013;26(2):403-17.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : DH8520000 CHEMICAL NAME : Benzoic acid, 2-(8'-trifluoromethyl-4'-quinolylamino)-, 2,3-dihydroxypropyl ester CAS REGISTRY NUMBER : 23779-99-9 LAST UPDATED : 199612 DATA ITEMS CITED : 15 MOLECULAR FORMULA : C20-H17-F3-N2-O4 MOLECULAR WEIGHT : 406.39 WISWESSER LINE NOTATION : T66 BNJ JXFFF EMR BVO1YQ1Q 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 : 535 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay) Gastrointestinal - ulceration or bleeding from stomach REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 9(Suppl 2),299,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 250 mg/kg TOXIC EFFECTS : Behavioral - changes in motor activity (specific assay) Behavioral - coma Blood - hemorrhage REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 9(Suppl 2),299,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >4 gm/kg TOXIC EFFECTS : Skin and Appendages - dermatitis, other (after systemic exposure) REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 9(Suppl 2),299,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 160 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 36,173,1976 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1960 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay) Gastrointestinal - ulceration or bleeding from stomach REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 9(Suppl 2),299,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 245 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 36,173,1976 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >4 gm/kg TOXIC EFFECTS : Skin and Appendages - dermatitis, other (after systemic exposure) REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 9(Suppl 2),299,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 180 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 36,173,1976 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : >1 gm/kg TOXIC EFFECTS : Gastrointestinal - nausea or vomiting REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 36,173,1976 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 700 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 36,173,1976 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 29120 mg/kg/26W-I TOXIC EFFECTS : Gastrointestinal - ulceration or bleeding from stomach Blood - changes in cell count (unspecified) Related to Chronic Data - death REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 36,173,1976 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 8400 mg/kg/4W-I TOXIC EFFECTS : Gastrointestinal - ulceration or bleeding from small intestine Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 36,173,1976 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 81900 mg/kg/26W-I TOXIC EFFECTS : Gastrointestinal - ulceration or bleeding from stomach REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 36,173,1976 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 700 mg/kg SEX/DURATION : female 1-7 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - musculoskeletal system REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 9(Suppl 2),325,1981 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 1300 mg/kg SEX/DURATION : female 6-18 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 9(Suppl 2),379,1981

安全

• 危害码 (欧洲): Xi
• 海关编码: 2933499090

合成路线

23779-97-7 71574-35-1 ~80% 23779-99-9

文献：Mouzin; Cousse; Autin Synthesis, 1980 , vol. No. 1, p. 54 - 55

118-48-9 ~% 23779-99-9

文献：Synthesis, , vol. No. 1, p. 54 - 55

上下游产品

上游产品  3
23779-97-7 71574-35-1 118-48-9
下游产品  0

海关

海关编码	2933499090
中文概述	2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 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	2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%