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| Targets |
The primary biological target of 1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride is the parasite Trypanosoma cruzi, against which it is active at all stages of the parasite's life cycle. As an imidazolium salt, it may act by disrupting parasite cell membranes or by interfering with essential metabolic processes. The compound is also used as a precursor for NHC-metal complexes that may have catalytic or biological activities. The specific molecular target within T. cruzi has not been fully characterized.
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| ln Vitro |
In vitro studies have demonstrated that 1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride is active against all stages of Trypanosoma cruzi in culture. This activity suggests potential for the treatment of Chagas disease, a parasitic infection affecting millions of people in Latin America. The compound's imidazolium core may contribute to its antiparasitic activity through membrane-disrupting or enzyme-inhibiting mechanisms. Detailed in vitro potency data (IC50 values) against T. cruzi are not readily available in the public domain.
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| ln Vivo |
In vivo data for 1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride are limited. While the compound has shown activity against T. cruzi in vitro and may represent a promising candidate for Chagas disease treatment, detailed animal studies evaluating its in vivo efficacy, pharmacokinetics, and safety have not been published in the available literature. Further preclinical development would be required to assess its therapeutic potential.
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| Enzyme Assay |
Cell-free enzyme/receptor binding assays are not typically performed with 1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride. Its activity against T. cruzi is likely assessed in cell-based parasitic cultures rather than in cell-free enzyme systems. For compounds derived from this imidazolium salt, typical binding assays may involve incubating the test compound with purified parasitic enzymes in buffered solutions, with activity measured spectrophotometrically or by radiometric methods.
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| Cell Assay |
For in vitro antiparasitic assays, 1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride is tested against cultured Trypanosoma cruzi parasites. Parasites are cultured in appropriate media (e.g., RPMI-1640 with 10% FBS) and treated with varying concentrations of the compound for 24–72 hours. Parasite viability is assessed by counting motile parasites, using a colorimetric assay (e.g., Alamar Blue), or by measuring metabolic activity. The IC50 value is determined from dose-response curves. Mammalian cell cytotoxicity (CC50) is assessed in parallel to determine the selectivity index.
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| Animal Protocol |
In vivo efficacy studies for Chagas disease typically involve infection of mice with Trypanosoma cruzi, followed by treatment with the test compound administered via oral gavage or intraperitoneal injection. Parasitemia is monitored by microscopic examination of blood samples. Survival, body weight, and tissue parasite burden (by qPCR) are assessed at study termination. Pharmacokinetic parameters are determined from plasma samples. All procedures follow institutional animal care guidelines.
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| ADME/Pharmacokinetics |
1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride is a synthetic chemical compound and is not subject to comprehensive pharmacokinetic evaluation as a drug. Its physicochemical properties include a molecular weight of 425.04 g/mol. The compound is stable under normal storage conditions and is available in high purity (≥97%). As an imidazolium salt, it is soluble in polar organic solvents.
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| Toxicity/Toxicokinetics |
The toxicological profile of 1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride has not been extensively characterized. Standard laboratory safety precautions should be observed when handling this compound, including the use of personal protective equipment (gloves, goggles, lab coat) and adequate ventilation. It may cause skin and eye irritation upon contact. Ingestion or inhalation should be avoided. Appropriate first-aid measures should be in place.
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| Additional Infomation |
1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride is a promising antiparasitic agent active against Trypanosoma cruzi, the causative agent of Chagas disease. It is also used as a precursor for NHC-metal complexes with luminescent properties for OLED applications. The compound serves as a biochemical reagent for life science research and organic synthesis. It is not yet approved for clinical use but represents a potential therapeutic candidate for Chagas disease, a neglected tropical disease with limited treatment options.
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| Molecular Formula |
C27H37CLN2
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| Molecular Weight |
425.05
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| Exact Mass |
424.264
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| CAS # |
250285-32-6
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| PubChem CID |
2734913
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| Appearance |
Off-white to pink solid powder
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| Melting Point |
278 °C (dec.)(lit.)
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| LogP |
4.251
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
30
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| Complexity |
421
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[Cl-].[N+]1(C=CN(C=1)C1C(=CC=CC=1C(C)C)C(C)C)C1C(=CC=CC=1C(C)C)C(C)C
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| InChi Key |
AVJBQMXODCVJCJ-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C27H37N2.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;/h9-21H,1-8H3;1H/q+1;/p-1
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| Chemical Name |
1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;chloride
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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 Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 (235.27 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.88 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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 (5.88 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3527 mL | 11.7633 mL | 23.5266 mL | |
| 5 mM | 0.4705 mL | 2.3527 mL | 4.7053 mL | |
| 10 mM | 0.2353 mL | 1.1763 mL | 2.3527 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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