| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
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| Other Sizes |
| Targets |
1-Trityl-1H-imidazole-4-carbaldehyde does not have a defined primary drug target as it is a chemical reagent and synthetic building block rather than a therapeutic agent. Imidazole derivatives are important pharmacophores in medicinal chemistry, found in numerous drugs with diverse activities including antifungal, antibacterial, anticancer, and anti-inflammatory properties. The trityl group protects the imidazole nitrogen during synthesis and can be removed under acidic conditions. Compounds synthesized using this reagent as a building block may target various enzymes or receptors, but the reagent itself is not a pharmacologically active agent.
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|---|---|
| ln Vitro |
1-Tritylimidazole-4-carboxaldehyde is employed in the production of girolline and histamine.
As a synthetic reagent, 1-Trityl-1H-imidazole-4-carbaldehyde is not typically evaluated for direct in vitro biological activity against specific molecular targets. Imidazole derivatives in general have been extensively studied for their biological activities, but the parent compound is used primarily as a chemical tool rather than a bioactive molecule. Its activity in biological assays would depend on the specific context and concentration, and any observed effects are generally considered incidental. |
| ln Vivo |
In vivo activity data for 1-Trityl-1H-imidazole-4-carbaldehyde itself is not available, as the compound is not intended for therapeutic use. Drug candidates synthesized using this reagent as a building block may be evaluated in animal models for various indications, but the biological activity is attributed to the final drug molecule rather than the imidazole reagent. The compound's primary applications remain in chemical synthesis and medicinal chemistry research.
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| Enzyme Assay |
Cell-free biochemical assays involving 1-Trityl-1H-imidazole-4-carbaldehyde typically focus on its use as a synthetic reagent. In organic synthesis, the compound can be used as a building block for the preparation of various imidazole derivatives. A standard protocol for reductive amination involves treating the aldehyde with an amine and a reducing agent (e.g., NaBH₃CN or NaBH(OAc)₃) in an appropriate solvent such as methanol or dichloroethane. The trityl group can be deprotected under acidic conditions (e.g., TFA or HCl) to reveal the free imidazole NH. Reactions are monitored by TLC and products are characterized by NMR and mass spectrometry. The compound's purity is verified by HPLC or NMR.
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| Cell Assay |
Cell-based assays are not typically performed with 1-Trityl-1H-imidazole-4-carbaldehyde as the compound is a chemical reagent. For imidazole derivatives synthesized from this reagent, standard cell-based protocols would apply depending on the target indication. For example, antifungal activity may be assessed by culturing fungal strains with the synthesized compound and measuring growth inhibition. Anticancer activity may be evaluated using cancer cell lines treated with the compound for 24-72 hours, with cell viability assessed by MTT or CellTiter-Glo assays.
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| Animal Protocol |
In vivo studies are not typically conducted with 1-Trityl-1H-imidazole-4-carbaldehyde itself. For drug candidates synthesized using this reagent, standard in vivo efficacy studies involve rodent models of the target disease. A typical protocol includes oral or intravenous administration of the test compound at various doses, with monitoring of disease progression through appropriate endpoints. The imidazole core is a privileged scaffold in medicinal chemistry, and many imidazole-containing drugs have been developed for various therapeutic areas.
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| ADME/Pharmacokinetics |
As a chemical reagent rather than a drug, comprehensive pharmacokinetic data for 1-Trityl-1H-imidazole-4-carbaldehyde is not available. The compound's molecular weight is 338.40 g/mol. The trityl group increases lipophilicity and provides steric protection during synthesis. For drug molecules synthesized from this reagent, ADME properties depend on the final structure. The imidazole core generally confers favorable physicochemical properties for drug development, including moderate polarity and hydrogen bonding capability.
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| Toxicity/Toxicokinetics |
Toxicological data specific to 1-Trityl-1H-imidazole-4-carbaldehyde is limited. As with all chemical reagents, standard laboratory safety precautions should be observed when handling this compound. The compound may cause irritation upon skin or eye contact. For drug candidates synthesized using this reagent, comprehensive toxicological evaluation is required as part of the drug development process.
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| Additional Infomation |
1-Trityl-1H-imidazole-4-carbaldehyde is a research chemical and synthetic reagent rather than an approved pharmaceutical agent. No clinical trials or regulatory approvals exist for this compound itself. It is commercially available from various chemical suppliers for research purposes only. The compound's primary value lies in its utility as a versatile building block in organic synthesis for the preparation of imidazole derivatives. The trityl-protected imidazole enables selective functionalization at the 4-position through the aldehyde group, making this compound a valuable intermediate for pharmaceutical synthesis and medicinal chemistry research.
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| Molecular Formula |
C23H18N2O
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|---|---|
| Molecular Weight |
338.40
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| Exact Mass |
338.141
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| CAS # |
33016-47-6
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| PubChem CID |
618233
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
502.8±45.0 °C at 760 mmHg
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| Melting Point |
180-190°C
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| Flash Point |
257.9±28.7 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.613
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| LogP |
5.21
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
26
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| Complexity |
402
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=C(N=C[N]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=O
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| InChi Key |
YQYLLBSWWRWWAY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H18N2O/c26-17-22-16-25(18-24-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
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| Chemical Name |
1-tritylimidazole-4-carbaldehyde
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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) |
DMSO: ~14.3 mg/mL (~42.2 mM; with ultrasonication and warming by heating to 60°C)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.43 mg/mL (4.23 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 (14.3 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: ≥ 1.43 mg/mL (4.23 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 (14.3 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 | 2.9551 mL | 14.7754 mL | 29.5508 mL | |
| 5 mM | 0.5910 mL | 2.9551 mL | 5.9102 mL | |
| 10 mM | 0.2955 mL | 1.4775 mL | 2.9551 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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