CAS Number442-52-4
SynonymsHistakool; 1-(4-Chlorobenzyl)-2-(1-pyrrolidinylmethyl)-1H-benzimidazole; Clemizol; 1-(p-Chlorobenzyl)-2-(1-pyrrolidinylmethyl)benzimidazole; 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidinylmethyl)-1H-benzimidazole; clemizole; 1-(4-chloro-benzyl)-2-pyrrolidin-1-ylmethyl-1H-benzoimidazole; 1-(4-Chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole; Histacuran; Klemidox; 1-(4-Chlorbenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazol; Allercur; 1-(p-Chlorobenzyl)-2-pyrrolidylmethylenebenzimidazole; 1-(4-chloro-benzyl)-2-pyrrolidinomethyl-1H-benzimidazole; Reactrol; 1-(4-Chlor-benzyl)-2-pyrrolidinomethyl-1H-benzimidazol; 1H-Benzimidazole,1-[(4-chlorophenyl)methyl]-2-(1-pyrrolidinylmethyl); histacur; 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole; Clemizolum; clemizolum [INN_la]
Molecular FormulaC19H20ClN3
Molecular Weight325.835
Density1.3±0.1 g/cm3
Boiling Point506.1±40.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 442-52-4 |
| Catalog No. | 2A-1169175 |
| Chinese Name | 克立咪唑 |
| Synonyms | Histakool; 1-(4-Chlorobenzyl)-2-(1-pyrrolidinylmethyl)-1H-benzimidazole; Clemizol; 1-(p-Chlorobenzyl)-2-(1-pyrrolidinylmethyl)benzimidazole; 1-[(4-Chlorophenyl)methyl]-2-(pyrrolidinylmethyl)-1H-benzimidazole; clemizole; 1-(4-chloro-benzyl)-2-pyrrolidin-1-ylmethyl-1H-benzoimidazole; 1-(4-Chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole; Histacuran; Klemidox; 1-(4-Chlorbenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazol; Allercur; 1-(p-Chlorobenzyl)-2-pyrrolidylmethylenebenzimidazole; 1-(4-chloro-benzyl)-2-pyrrolidinomethyl-1H-benzimidazole; Reactrol; 1-(4-Chlor-benzyl)-2-pyrrolidinomethyl-1H-benzimidazol; 1H-Benzimidazole,1-[(4-chlorophenyl)methyl]-2-(1-pyrrolidinylmethyl); histacur; 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole; Clemizolum; clemizolum [INN_la] |
| Molecular Formula | C19H20ClN3 |
| Molecular Weight | 325.835 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 506.1±40.0 °C at 760 mmHg |
| Storage Condition | -20°C |
| Application | Clemizole is an H1 receptor antagonist and can also inhibit NS4B RNA binding and HCV replication. |
| HTC | 2933990090 |
| PubChem ID | 99695 |
| SMILES | Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 |
| InChI | InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2 |
| InChI Key | CJXAEXPPLWQRFR-UHFFFAOYSA-N |
| Use of | Properties Name clemizole Synonym More Synonyms clemizole Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> Histamine Receptor Signaling Pathways >> Immunology/Inflammation >> Histamine Receptor Research Areas >> Inflammation/Immunology IC50: 24 nM (NS4B)[1] H1 histamine receptor[1] In Vivo Clemizole hydrochloride has an unexpectedly short plasma half-life (measured at 0.15 hours); it is very rapidly biotransformed into a glucuronide (M14) and a dealkylated metabolite (M12) and into a variety of lesser metabolites in C57BL/6J mice[3]. References [1]. Einav S, et al. Discovery of a hepatitis C target and its pharmacological inhibitors by microfluidic affinity analysis. Nat Biotechnol. 2008 Sep;26(9):1019-27. [2]. Richter JM, et al. Clemizole hydrochloride is a novel and potent inhibitor of transient receptor potential channel TRPC5. Mol Pharmacol. 2014 Nov;86(5):514-21. [3]. Nishimura T, et al. Using chimeric mice with humanized livers to predict human drug metabolism and a drug-drug interaction. J Pharmacol Exp Ther. 2013 Feb;344(2):388-96. Chemical & Physical Properties Exact Mass 325.134583 PSA 21.06000 Index of Refraction 1.656 InChIKey CJXAEXPPLWQRFR-UHFFFAOYSA-N Safety Information HS Code 2933990090 Synthetic Route Pyrrolidine 1-(4-Chlorobenz... 4-Chlorobenzyl ... 2-(pyrrolidin-1... Literature: Vlahakis, Jason Z.; Vukomanovic, Dragic; Nakatsu, Kanji; Szarek, Walter A. Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 21 p. 6788 - 6795 2-(Chloromethyl... Literature: Vlahakis, Jason Z.; Vukomanovic, Dragic; Nakatsu, Kanji; Szarek, Walter A. Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 21 p. 6788 - 6795 Precursor & DownStream Precursor 10 CAS#:123-75-1 Pyrrolidine CAS#:7189-18-6 1-(4-Chlorobenz... CAS#:622-95-7 4-Chlorobenzyl ... CAS#:2948-92-7 2-(pyrrolidin-1... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: 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% |
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