计算溶液所需的质量、体积或浓度。
| 活性类型 | 活性值-log(M) | 作用机制 | 期刊 | 参考文献(PubMed IDs) |
|---|
| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| F114345-100mg |
100mg |
现货 ![]() |
| |
| F114345-500mg |
500mg |
现货 ![]() |
| |
| F114345-1g |
1g |
现货 ![]() |
|
| 别名 | 苯硫咪唑 |
|---|---|
| 英文别名 | (5-(phenylthio)-1H-benzimidazol-2-yl)carbamic acid methyl ester | CHEBI:77092 | DTXSID0040672 | Fenbendazole for veterinary use | NSC-757824 | FENBENDAZOLE [GREEN BOOK] | Methyl (5-(phenylsulfanyl)-1H-benzimidazol-2-yl)carbamate | Panacur [veterinary] (TN |
| 规格或纯度 | 分析标准品 |
| 英文名称 | Fenbendazole |
| 运输条件 | 常规运输 |
| 产品介绍 |
易溶于二甲基亚砜(DMSO),微溶于一般有机溶剂,不溶于水。无臭无味。 |
| ALogP | 3.6 |
|---|
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IUPAC Name | methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate |
| INCHI | InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19) |
| InChi Key | HDDSHPAODJUKPD-UHFFFAOYSA-N |
| Canonical SMILES | COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3 |
| Isomeric SMILES | COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3 |
| PubChem CID | 3334 |
| 分子量 | 299.35 |
| 密度 | 1.4 |
|---|---|
| 熔点 | 233°C |
| 分子量 | 299.300 g/mol |
| XLogP3 | 3.600 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 4 |
| 可旋转键计数Rotatable Bond Count | 4 |
| 精确质量Exact Mass | 299.073 Da |
| 单同位素质量Monoisotopic Mass | 299.073 Da |
| 拓扑极表面积Topological Polar Surface Area | 92.300 Ų |
| 重原子数Heavy Atom Count | 21 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 363.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| 象形图 | GHS08, GHS09 |
|---|---|
| 信号词 | Warning |
| 危险声明 |
H373: 通过长时间或反复暴露对器官造成损害 H412: 对水生生物有害并具有长期持续影响 H400: 对水生生物有剧毒 H410: 对水生生物有剧毒并具有长期持续影响 H361: 怀疑破坏生育力或未出生的孩子 |
| 预防措施声明 |
P273: 避免释放到环境中。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。 P391: 收集溢出物 P203: 使用前,获取、阅读并遵守所有安全说明。 P318: 如果暴露或担心,请就医。 P319: 如果你感到不适,请寻求医疗帮助。 |
| Merck Index | 3960 |
| Purity(HPLC) | 99-100(%) |
|---|---|
| Melting point | 232-236(℃) |
| Appearance(F114345) | White or light yellow powder |
| Infrared spectrum | Conforms to Structure |
| 1. Fulin Mao, Weizhong Shi, Hongkun Zhao, Wanxin Li, Abolghasem Jouyban, William E. Acree. (2024) Comprehensive solubility study and inter-molecular interactions on fenbendazole dissolved in some aqueous aprotic and protic co-solvent solutions. JOURNAL OF CHEMICAL THERMODYNAMICS, 191 (107231). [10.1016/j.jct.2023.107231] |
| 2. Yi Peng, Jie Pan, Fengting Ou, Wenchao Wang, Haihong Hu, Lu Chen, Su Zeng, Kui Zeng, Lushan Yu. (2022) Fenbendazole and its synthetic analog interfere with HeLa cells’ proliferation and energy metabolism via inducing oxidative stress and modulating MEK3/6-p38-MAPK pathway. CHEMICO-BIOLOGICAL INTERACTIONS, 361 (109983). [PMID:35569513] [10.1016/j.cbi.2022.109983] |
| 3. Qin Li, Xuanping Tan, Jin Li, Li Pan, Xiaorong Liu. (2015) Glutathione-capped CdTe nanocrystals as probe for the determination of fenbendazole. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 141 (10). [PMID:25659737] [10.1016/j.saa.2015.01.026] |
| 1. Fulin Mao, Weizhong Shi, Hongkun Zhao, Wanxin Li, Abolghasem Jouyban, William E. Acree. (2024) Comprehensive solubility study and inter-molecular interactions on fenbendazole dissolved in some aqueous aprotic and protic co-solvent solutions. JOURNAL OF CHEMICAL THERMODYNAMICS, 191 (107231). [10.1016/j.jct.2023.107231] |
| 2. Yi Peng, Jie Pan, Fengting Ou, Wenchao Wang, Haihong Hu, Lu Chen, Su Zeng, Kui Zeng, Lushan Yu. (2022) Fenbendazole and its synthetic analog interfere with HeLa cells’ proliferation and energy metabolism via inducing oxidative stress and modulating MEK3/6-p38-MAPK pathway. CHEMICO-BIOLOGICAL INTERACTIONS, 361 (109983). [PMID:35569513] [10.1016/j.cbi.2022.109983] |
| 3. Qin Li, Xuanping Tan, Jin Li, Li Pan, Xiaorong Liu. (2015) Glutathione-capped CdTe nanocrystals as probe for the determination of fenbendazole. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 141 (10). [PMID:25659737] [10.1016/j.saa.2015.01.026] |