西吡氯铵

西吡氯铵用途

Cetylpyridinium chloride,一种阳离子季铵化合物,是一种具有广谱活性的抗菌剂。Cetylpyridinium chloride 是一种有效的抗 HBV 衣壳装配抑制剂,IC50 为 2.5 μM。Cetylpyridinium chloride 被用于杀虫剂和各种漱口水以及其他个人护理产品中。

西吡氯铵名称

[ CAS 号 ]:
123-03-5

[ 中文名 ]:
西吡氯铵

[ 英文名 ]:
cetylpyridinium chloride

[中文别名 ]:

[英文别名 ]:

Pyrisept
1-HEXADECYL-PYRIDINIUM,CHLORIDE
Pristacin
MFCD00011731
EINECS 204-593-9
Cetafilm
Medilave
Pyridinium, 1-hexadecyl-, chloride (1:1)
cetylpyridinium chloride
Aktivex

西吡氯铵生物活性

[ 描述 ]:

[ 相关类别 ]:

研究领域 >> 感染

信号通路 >> 抗感染 >> HBV

研究领域 >> 炎症/免疫

信号通路 >> 抗感染 >> 细菌

[ 靶点 ]

IC50: 2.5 μM (HBV capsid assembly)[1]

[体外研究]

氯化十六烷基吡啶与二聚体病毒核衣壳蛋白(称为核心蛋白或HBcAg)特异性相互作用。与其他HBV抑制剂相比,西吡氯铵对HepG2.2.15细胞株的HBV粒子数有明显的降低作用。氯化十六烷基吡啶抑制衣壳组装并导致HBV生物发生减少[1]。氯化十六烷基吡啶是一种安全的广谱抗菌剂,可预防生物膜形成和牙龈炎[2]。

[体内研究]

氯化十六烷基吡啶(30μg/kg；肌肉注射；每日；连续3天；雄性C57BL/6小鼠)治疗抑制小鼠水动力模型系统中的HBV复制[1]。动物模型：雄性C57BL/6小鼠(6周龄)注射质粒[1]剂量：272μg/kg/天给药：肌肉注射；每日；连续3天结果：血清HBV DNA水平抑制,第2天降低60%,第3天下降45%。

[参考文献]

[1]. Hyun Wook Seo, et al. Cetylpyridinium chloride interaction with the hepatitis B virus core protein inhibits capsid assembly. Virus Res. 2019 Apr 2;263:102-111.

[2]. Hiroto Imai, et al. Cetylpyridinium chloride at sublethal levels increases the susceptibility of rat thymic lymphocytes to oxidative stress. Chemosphere. 2017 Mar;170:118-123.

西吡氯铵物理化学性质

[ 熔点 ]:
77°C

[ 分子式 ]:
C₂₁H₃₈ClN

[ 分子量 ]:
339.986

[ 精确质量 ]:
339.269287

[ PSA ]:
3.88000

[ LogP ]:
3.45940

[ 外观性状 ]:
白色粉末或晶体

[ 储存条件 ]:
库房低温通风干燥

[ 稳定性 ]:
Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.

西吡氯铵MSDS

详细MSDS(安全技术说明书)

西吡氯铵毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UU4900000

CHEMICAL NAME :: Pyridinium, 1-hexadecyl-, chloride

CAS REGISTRY NUMBER :: 123-03-5

LAST UPDATED :: 199710

DATA ITEMS CITED :: 22

MOLECULAR FORMULA :: C21-H38-N.Cl

MOLECULAR WEIGHT :: 340.05

WISWESSER LINE NOTATION :: T6KJ A16 &Q &G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 33NFA8 "Animal Models in Dermatology: Relevance to Human Dermatopharmacology and Dermatotoxicology," Maibach, H., ed., New York, Churchill Livingston, 1975 Volume(issue)/page/year: -,2,1975

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,137,1968

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 59,188,1970 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 200 mg/kg

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

REFERENCE :: YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 31,471,1980

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 90 mg/m3/4H

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - chromodacryorrhea Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 29,851,1991

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 6 mg/kg

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

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 35,89,1946

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 250 mg/kg

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

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 35,89,1946

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 108 mg/kg

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

REFERENCE :: PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 120,511,1965

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 7 mg/kg

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

REFERENCE :: JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 59,188,1970

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 10 mg/kg

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

REFERENCE :: JBSTBI Journal of Biological Standardization. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1973- Volume(issue)/page/year: 1,87,1973

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: >500 mg/kg

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

REFERENCE :: JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 59,188,1970

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: >500 mg/kg

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

REFERENCE :: JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 59,188,1970

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 400 mg/kg

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

REFERENCE :: PCOC** Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. (Topeka, KS) Volume(issue)/page/year: -,208,1966

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 2 gm/kg

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

REFERENCE :: JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 59,188,1970

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 300 mg/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,544,1990

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 36 mg/kg

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

REFERENCE :: PCOC** Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. (Topeka, KS) Volume(issue)/page/year: -,208,1966 *** REVIEWS *** TOXICOLOGY REVIEW ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 32,245,1974 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84321 No. of Facilities: 113 (estimated) No. of Industries: 3 No. of Occupations: 8 No. of Employees: 2878 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84321 No. of Facilities: 999 (estimated) No. of Industries: 4 No. of Occupations: 13 No. of Employees: 132865 (estimated) No. of Female Employees: 118474 (estimated)

西吡氯铵安全信息

[ 危害码 (欧洲) ]:
T+

[ 危险品运输编码 ]:
2811

[ 包装等级 ]:
III

[ 危险类别 ]:
6.1(b)

[ 海关编码 ]:
2933399090

西吡氯铵合成路线

详细合成路线

西吡氯铵上下游产品

西吡氯铵上游产品

西吡氯铵下游产品

西吡氯铵制备

在48mlSOCl₂和0.3gHCON(CH₃)₂的混合物中，搅拌下控制温度30-35℃，滴入81g十六醇。滴毕，混合物煮沸30min，冷却，蒸馏得138-140℃(压力270Pa)馏分，为氯代十六烷，收率92.2%。将80g氯代十六烷和32g干吡啶油浴加热到150-160℃，反应12-15h，反应毕，加入80ml干丙酮，混合物水浴加热溶解后再冷却得９94%收率的产品。熔点为87-88℃。

西吡氯铵海关

[ 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%