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| Targets |
4,5-Dicyanoimidazole is a chemical activator and synthetic intermediate rather than a direct pharmacological agent. As a reagent, it does not have specific biological receptors as its primary targets. The compound's mechanism of action in oligonucleotide synthesis involves activation of nucleoside phosphoramidites, facilitating the formation of phosphite triester linkages. The cyano groups enhance the compound's electrophilicity, making it a versatile reagent for organic synthesis. Its primary applications are as an activator in oligonucleotide synthesis and as a catalyst for organic reactions.
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| ln Vitro |
4,5-dicyanimidazole is employed in the solid-phase oligonucleotide synthesis process for the production of new nucleotides as well as the activation of nucleotide phosphoramidites. Tetrazole is frequently substituted with it.
In vitro, 4,5-dicyanoimidazole is used as a biochemical reagent and activator for nucleoside phosphoramidites in solid-phase oligonucleotide synthesis. It is commonly used as a substitute for tetrazole in oligonucleotide synthesis. The compound is also used as a catalyst or reagent for the formation of carbon-carbon bonds. Cellular assays are not typically performed with this compound as a direct cell-modulating agent, as its primary applications are in nucleic acid chemistry and organic synthesis. |
| ln Vivo |
In vivo data for 4,5-dicyanoimidazole is limited, as it is primarily a research reagent and chemical activator. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. Its primary applications are in oligonucleotide synthesis and organic chemistry. Specific in vivo data for the parent compound is not available in the public literature. The compound is not a therapeutic candidate.
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| Enzyme Assay |
In vitro assays for 4,5-dicyanoimidazole typically evaluate its activity as an activator in oligonucleotide synthesis. A standard protocol involves dissolving the compound in an appropriate solvent (e.g., acetonitrile) and using it as an activator solution in solid-phase oligonucleotide synthesis. The coupling efficiency of phosphoramidite activation is assessed by measuring the trityl cation release or by analyzing the synthesized oligonucleotides by HPLC or mass spectrometry. The compound's performance is compared to other activators such as tetrazole. The compound's purity is critical for oligonucleotide synthesis applications.
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| Cell Assay |
Cellular assays for 4,5-dicyanoimidazole are not standard, as the compound is primarily used in nucleic acid chemistry rather than as a cell-modulating agent. The compound's reactivity suggests potential for cytotoxicity at high concentrations. Any cellular studies would focus on evaluating the compound's cytotoxicity. A typical protocol would involve culturing appropriate cell lines in growth medium at 37°C with 5% CO₂. Cells would be treated with varying concentrations of the compound. Cell viability would be assessed using MTT or similar assays.
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| Animal Protocol |
In vivo animal studies for 4,5-dicyanoimidazole are not standard, as it is a research reagent and chemical activator rather than a therapeutic candidate. The compound is classified for research use only and is not intended for human or veterinary applications. Any animal studies would be limited to toxicological evaluations of the compound as an industrial chemical. The compound's primary value lies in its use as an activator for oligonucleotide synthesis. Specific in vivo protocols are not available in the public literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 4,5-dicyanoimidazole is limited, as it is primarily a research reagent. The compound has a molecular weight of 118.10 g/mol and a molecular formula of C₅H₂N₄. It is a solid at room temperature and is stored at room temperature in a cool, dark place. As a dicyanoimidazole, it may undergo metabolic hydrolysis of the cyano groups. Specific ADME data is not available. The compound is stored in a dry, cool place.
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| Toxicity/Toxicokinetics |
4,5-Dicyanoimidazole is classified for research use only and is not intended for human or veterinary applications. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is not readily available in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed. No specific LD₅₀ values are available in the public domain.
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| Additional Infomation |
4,5-Dicyanoimidazole (DCI, CAS 1122-28-7) is a biochemical reagent with the molecular formula C₅H₂N₄. It is a highly reactive heterocyclic compound with cyano groups at the 4 and 5 positions. It is widely used as an activator for nucleoside phosphoramidites in solid-phase oligonucleotide synthesis and as a catalyst for carbon-carbon bond formation. The compound is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes.
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| Molecular Formula |
C5H2N4
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| Molecular Weight |
118.10
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| Exact Mass |
118.027
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| CAS # |
1122-28-7
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| PubChem CID |
70729
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| Appearance |
White to light yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
569.3±35.0 °C at 760 mmHg
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| Melting Point |
168-175 °C(lit.)
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| Flash Point |
170.2±11.1 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.584
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| LogP |
0.09
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
9
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| Complexity |
192
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1([H])C([H])=NC(C#N)=C1C#N
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| InChi Key |
XGDRLCRGKUCBQL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H2N4/c6-1-4-5(2-7)9-3-8-4/h3H,(H,8,9)
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| Chemical Name |
1H-imidazole-4,5-dicarbonitrile
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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) |
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 | 8.4674 mL | 42.3370 mL | 84.6740 mL | |
| 5 mM | 1.6935 mL | 8.4674 mL | 16.9348 mL | |
| 10 mM | 0.8467 mL | 4.2337 mL | 8.4674 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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