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| Other Sizes |
| Targets |
2-Chlorobenzimidazole inhibits the growth of herpes simplex virus by acting as a competitive inhibitor for the viral enzyme thymidine kinase, which catalyzes the conversion of thymine to thymidine. It is a pharmaceutical intermediate used in the synthesis of a series of derivatives with anti-human cytomegalovirus (HCMV) activity. It can be used to form metal complexes (cobalt, copper, and zinc), with zinc complexes exhibiting significant anticancer activity.
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| ln Vitro |
In vitro studies have shown that 2-Chlorobenzimidazole inhibits the growth of herpes simplex virus by acting as a competitive inhibitor for the viral enzyme thymidine kinase. It has been studied for its potential as an antifungal agent. Zinc complexes of 2-chlorobenzimidazole exhibit significant anticancer activity.
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| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 2-Chlorobenzimidazole as a therapeutic agent. The compound is used as a pharmaceutical intermediate and biochemical reagent. It is not administered to animals for pharmacological evaluation. Its applications are limited to in vitro biochemical research and organic synthesis.
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| Enzyme Assay |
For non-cellular assays, 2-Chlorobenzimidazole is characterized by standard analytical techniques including NMR, HPLC, and mass spectrometry to confirm identity and purity. The compound can be evaluated as an enzyme inhibitor in thymidine kinase assays. Typical protocols involve incubating the compound with enzyme preparations and measuring residual activity. Purity: typically ≥95-98%. Storage: room temperature in a cool and dark place.
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| Cell Assay |
For in vitro cell-based studies, 2-Chlorobenzimidazole can be used to assess antiviral and anticancer activities. Cells are cultured under standard conditions and treated with the compound or its metal complexes to evaluate effects on viral replication and cell viability. The compound is typically dissolved in DMSO and diluted in cell culture medium. Appropriate controls should be included in the experimental design.
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| Animal Protocol |
For in vivo animal studies, 2-Chlorobenzimidazole is not typically administered as a test compound. It is used as a pharmaceutical intermediate and building block. If used in animal studies for specific research purposes, it would be administered via appropriate routes with suitable formulations. Standard animal welfare guidelines should be followed.
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| ADME/Pharmacokinetics |
2-Chlorobenzimidazole has a molecular weight of 152.58 and molecular formula C₇H₅ClN₂. Purity: typically ≥95-98%. Storage: keep in a cool, dry place protected from light and moisture. The compound is a solid at room temperature. Solubility: soluble in common organic solvents. The compound is stable under recommended storage conditions.
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| Toxicity/Toxicokinetics |
2-Chlorobenzimidazole is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Chlorinated compounds should be handled with care. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD₅₀ values and detailed toxicological profiles have not been extensively reported.
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| References |
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| Additional Infomation |
2-Chlorobenzimidazole (CAS 4857-06-1) is a pharmaceutical intermediate used in the synthesis of derivatives with anti-HCMV activity. It inhibits herpes simplex virus growth by acting as a competitive inhibitor for thymidine kinase. It can form metal complexes with zinc exhibiting significant anticancer activity. No clinical trials or therapeutic approvals exist.
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| Molecular Formula |
C7H5CLN2
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|---|---|
| Molecular Weight |
152.58
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| Exact Mass |
152.014
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| CAS # |
4857-06-1
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| PubChem CID |
78572
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
328.5±25.0 °C at 760 mmHg
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| Melting Point |
207-211 °C(lit.)
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| Flash Point |
182.5±8.8 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.703
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| LogP |
2.58
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
10
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| Complexity |
129
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=NC2=CC=CC=C2N1
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| InChi Key |
AYPSHJCKSDNETA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
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| Chemical Name |
2-chloro-1H-benzimidazole
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~655.4 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.38 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (16.38 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.5539 mL | 32.7697 mL | 65.5394 mL | |
| 5 mM | 1.3108 mL | 6.5539 mL | 13.1079 mL | |
| 10 mM | 0.6554 mL | 3.2770 mL | 6.5539 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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