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甲苯咪唑

甲苯咪唑用途

Mebendazole是一高效广谱驱虫药,同时也被报道是hedgehog抑制剂。

甲苯咪唑名称

[ CAS 号 ]:
31431-39-7

[ 中文名 ]:
甲苯达唑

[ 英文名 ]:
Mebendazole

[中文别名 ]:

[英文别名 ]:

mebenvet
telmin
Methyl [5-(Benzoyl)benzimidazol-2-yl]carbamate
lomper
besantin
Mebendazole
Methyl 5-benzoyl benzimidazole-2-carbamate
EINECS 250-635-4
Mebex
MFCD00057872

甲苯咪唑生物活性

[ 描述 ]:

Mebendazole是一高效广谱驱虫药,同时也被报道是hedgehog抑制剂。

[ 相关类别 ]:

信号通路 >> 抗感染 >> 寄生物

研究领域 >> 感染

[参考文献]

[1]. Liu C, et al. In vivo and in vitro efficacies of mebendazole, mefloquine and nitazoxanide against cyst echinococcosis. Parasitol Res. 2015 Mar 15.

[2]. Pawluk SA, et al. A review of pharmacokinetic drug-drug interactions with the anthelmintic medications albendazole and mebendazole. Clin Pharmacokinet. 2015 Apr;54(4):371-83.

[3]. Speich B, et al. Efficacy and safety of albendazole plus ivermectin, albendazole plus mebendazole, albendazole plus oxantel pamoate, and mebendazole alone against Trichuris trichiura and concomitant soil-transmitted helminth infections: a four-arm, random

[4]. Larsen AR, et al. Repurposing the antihelmintic mebendazole as a hedgehog inhibitor. Mol Cancer Ther. 2015 Jan;14(1):3-13.

[相关活性小分子]

甲苯咪唑物理化学性质

[ 密度 ]:
1.4±0.1 g/cm3

[ 熔点 ]:
288.5°C

[ 分子式 ]:
C₁₆H₁₃N₃O₃

[ 分子量 ]:
295.293

[ 精确质量 ]:
295.095703

[ PSA ]:
84.08000

[ LogP ]:
2.83

[ 外观性状 ]:
白色至淡黄色粉末

[ 折射率 ]:
1.703

[ 储存条件 ]:
0-6°C

[ 水溶解性 ]:
水溶性：不溶；极微溶：丙酮；不溶：醇

甲苯咪唑MSDS

甲苯咪唑毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EY8600000

CHEMICAL NAME :: Carbamic acid, N-(5-benzoylbenzimidazol-2-yl)-, methyl ester

CAS REGISTRY NUMBER :: 31431-39-7

LAST UPDATED :: 199606

DATA ITEMS CITED :: 25

MOLECULAR FORMULA :: C16-H13-N3-O3

MOLECULAR WEIGHT :: 295.32

WISWESSER LINE NOTATION :: T56 BM DNJ CMVO1 GVR

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 :: 714 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 :: Intramuscular

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 350 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 :: Rodent - mouse

DOSE/DURATION :: 620 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 :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 712 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 :: 1280 mg/kg

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

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: >2 gm/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 - cat

DOSE/DURATION :: >640 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 :: Rodent - rabbit

DOSE/DURATION :: >640 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 :: Rodent - guinea pig

DOSE/DURATION :: >1280 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 :: Unreported

SPECIES OBSERVED :: Bird - chicken

DOSE/DURATION :: >40 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 - domestic

DOSE/DURATION :: >80 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 :: 3640 mg/kg/13W-I

TOXIC EFFECTS :: Gastrointestinal - other changes Liver - changes in liver weight Related to Chronic Data - changes in testicular weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 78400 ug/kg

SEX/DURATION :: female 8-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - Central Nervous System

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 78400 ug/kg

SEX/DURATION :: female 8-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 78400 ug/kg

SEX/DURATION :: female 8-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

MUTATION DATA

TEST SYSTEM :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

REFERENCE :: PCBRD2 Progress in Clinical and Biological Research. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1975- Volume(issue)/page/year: 340E,225,1990 *** REVIEWS *** TOXICOLOGY REVIEW MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 32,151,1975

甲苯咪唑安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H302

[ 警示性声明 ]:
P301 + P312 + P330

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

[ 危害码 (欧洲) ]:
Xn:Harmful

[ 风险声明 (欧洲) ]:
R22

[ 安全声明 (欧洲) ]:
S36

[ 危险品运输编码 ]:
UN 2811

[ WGK德国 ]:
3

[ RTECS号 ]:
EY8600000

[ 海关编码 ]:
2933990090

甲苯咪唑合成路线

甲苯咪唑上下游产品

甲苯咪唑上游产品

甲苯咪唑下游产品

甲苯咪唑制备

1、将4-氯-3-硝基苯甲酸用氯化亚砜氯化，在三氯化铝催化下与苯缩合，再经胺化、还原得到3，4-二氨基二苯甲酮，然后经环合制成甲苯达唑。也可将3，4-二氨基二苯甲酮盐酸盐加入由S-甲基异硫脲硫酸盐、氯甲酸甲酯、氢氧化钠反应得到的混合物中，再加入醋酸钠，在85℃反应45min，亦可制得甲苯达唑。

2、以邻二氯苯和苯甲酰氯为原料，经缩合、氨化、环合而得。
将邻二氯苯、苯甲酰氯、无水三氯化铝混合，于130-135℃下搅拌反应4h。稍冷后倾倒入稀盐酸中，过滤、水洗至中性，得二氯二甲苯酮粗品。粗品溶于盐酸，加活性炭回流脱色0.5h。脱色液冷却至10℃以下。过滤后干燥得2，4-二氯二苯甲酮。收率70%。
将2，4-二氯二苯甲酮、氯化亚铜、氯化镁、氨水在高压釜中，200-210℃和5-6MPa下反应15h。冷却至40-50℃后过滤，滤饼溶于稀盐酸，加入活性炭脱色（80℃，0.5h）。脱色液冷却至10℃，析出结晶。经过滤、干燥得3，4-二氨基二甲苯酮盐酸盐，收率65%。再与氰氨基甲酸甲酯环合得产品。

甲苯咪唑海关

[ 海关编码 ]: 2933990090

[ 中文概述 ]:
2933990090. 其他仅含氮杂原子的杂环化合物. 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 ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

甲苯咪唑文献

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...

Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

J. Sci. Ind. Res. 65(10) , 808, (2006)

Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ...

Developing structure-activity relationships for the prediction of hepatotoxicity.

Chem. Res. Toxicol. 23 , 1215-22, (2010)

Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals ...

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