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| Other Sizes |
| Targets |
1,3-Dimesitylimidazolium chloride does not have a defined pharmacological target. It is a chemical reagent used as a precursor for NHC ligands in organometallic chemistry and catalysis. Its mechanism of action is chemical: deprotonation of the imidazolium salt generates a stable NHC that can coordinate to metal centers and form active catalysts.
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| ln Vitro |
In vitro, 1,3-dimesitylimidazolium chloride is used as a precursor for NHC ligands. It is used in the synthesis of NHC-metal complexes for catalysis. As an imidazolium salt, it is a common building block for the preparation of NHCs, which are widely used in organometallic chemistry and catalysis.
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| ln Vivo |
In vivo activity data for 1,3-dimesitylimidazolium chloride are not available, as the compound is a chemical reagent used for in vitro synthesis. It is not intended for in vivo administration and has no established in vivo pharmacokinetic or pharmacodynamic profile.
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| Enzyme Assay |
For in vitro chemical synthesis, 1,3-dimesitylimidazolium chloride is used as a precursor for NHC ligands. Standard protocols involve deprotonating the imidazolium salt with a strong base (e.g., KOᵗBu, NaH) to generate the free NHC. The NHC can then be used to form metal complexes by reacting with a metal precursor (e.g., Pd(OAc)₂, CuCl).
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| Cell Assay |
For in vitro cell-based experiments, 1,3-dimesitylimidazolium chloride is not typically used directly in cell culture. It is a chemical reagent used for organic synthesis and catalysis. The compound may be used in the synthesis of compounds that are subsequently tested in cell-based assays.
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| Animal Protocol |
In vivo animal studies for 1,3-dimesitylimidazolium chloride are not applicable, as the compound is a chemical reagent used for synthesis. No animal studies have been conducted for this compound as a therapeutic agent.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 1,3-dimesitylimidazolium chloride are not available, as the compound is not a drug and is not administered to living organisms. The compound is a solid and should be stored under appropriate conditions.
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| Toxicity/Toxicokinetics |
1,3-Dimesitylimidazolium chloride is a research chemical and should be handled with appropriate laboratory safety precautions. As an imidazolium salt, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications.
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| Additional Infomation |
1,3-Dimesitylimidazolium chloride (CAS 141556-45-8) is primarily a research-grade chemical reagent, not an FDA-approved pharmaceutical drug. Its primary application is as a precursor for N-heterocyclic carbene (NHC) ligands in organometallic chemistry and catalysis.
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| Molecular Formula |
C21H25CLN2
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|---|---|
| Molecular Weight |
340.89
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| Exact Mass |
342.186
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| CAS # |
141556-45-8
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| PubChem CID |
2734211
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| Appearance |
White to yellow solid powder
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| Melting Point |
>300 °C(lit.)
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| LogP |
1.608
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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 |
2
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| Heavy Atom Count |
24
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| Complexity |
335
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)C3=C(C=C(C=C3C)C)C)C.[Cl-]
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| InChi Key |
OTOSIXGMLYKKOW-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C21H25N2.ClH/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;/h7-13H,1-6H3;1H/q+1;/p-1
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| Chemical Name |
1,3-bis(2,4,6-trimethylphenyl)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: Please store this product in a sealed and protected environment, 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9335 mL | 14.6675 mL | 29.3350 mL | |
| 5 mM | 0.5867 mL | 2.9335 mL | 5.8670 mL | |
| 10 mM | 0.2933 mL | 1.4667 mL | 2.9335 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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