| Size | Price | Stock | Qty |
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| 5g |
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| 10g |
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| Other Sizes |
| Targets |
1-Methylimidazolidin-2-one does not have a defined pharmacological target of its own, as it is a chemical reagent and solvent. However, it is an imidazole derivative used in the preparation of chelated carbene complexes as well as in bioactive compounds such as potent HIV integrase inhibitors active against raltegravir-resistant viruses.
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| ln Vitro |
1-Methylimidazolidin-2-one is a biochemical reagent that can be utilized in research pertaining to life sciences as an organic substance or biological material.
In vitro, 1-Methylimidazolidin-2-one is primarily used as a chemical reagent, solvent, and intermediate. It can play a buffering and stabilizing role in some organic synthesis reactions and can be utilized as a solvent in some chemical reactions and industrial production processes. It is also used in the preparation of chelated carbene complexes and bioactive compounds. |
| ln Vivo |
In vivo activity data for 1-Methylimidazolidin-2-one itself are not available, as the compound is not intended for direct in vivo administration. Rather, it is a precursor used in the synthesis of bioactive compounds, including HIV integrase inhibitors, that are subsequently evaluated in animal models. The compound's in vivo relevance is indirect, through the biological activities of the final compounds derived from it.
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| Enzyme Assay |
For in vitro enzyme/receptor binding studies, 1-Methylimidazolidin-2-one is not typically evaluated as a test compound itself. Instead, it serves as a reagent or solvent for the synthesis of test compounds. The compound's properties include a molecular weight of 100.12 g/mol, a melting point of 112-115°C, and a logD (pH=5.5) of -0.864. It has one hydrogen bond donor.
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| Cell Assay |
For in vitro cell-based experiments, 1-Methylimidazolidin-2-one is used as an intermediate or solvent in the synthesis of compounds that are tested in cell viability, proliferation, and cytotoxicity assays. The compound itself is not typically evaluated in cell-based assays. Standard cell culture protocols for test compounds synthesized using this reagent involve dissolving the final product in DMSO and diluting to working concentrations.
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| Animal Protocol |
In vivo animal studies using 1-Methylimidazolidin-2-one are conducted on the final bioactive compounds synthesized from it, not on the reagent itself. For HIV integrase inhibitors derived from this building block, efficacy studies would typically be performed in mouse models of HIV infection. Standard in vivo protocols involve administration to rodents via appropriate routes with pharmacokinetic and pharmacodynamic endpoints.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 1-Methylimidazolidin-2-one as a standalone compound are not characterized in the literature. The compound has a molecular weight of 100.12 g/mol and a logD of -0.864 at pH 5.5, indicating good water solubility. The compound has a melting point of 112-115°C and should be stored at 2-8°C.
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| Toxicity/Toxicokinetics |
1-Methylimidazolidin-2-one is a research chemical and should be handled with appropriate laboratory safety precautions. As an imidazole derivative, it may pose risks of skin and eye irritation. The compound should be stored at 2-8°C. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| Additional Infomation |
1-Methylimidazolidin-2-one (1-Methyl-2-imidazolidinone, CAS 694-32-6) is primarily a research-grade chemical reagent, not an FDA-approved pharmaceutical drug. Its primary applications are as a solvent and intermediate in organic synthesis, with buffering and stabilizing roles in some reactions. The compound is used in the preparation of chelated carbene complexes and bioactive compounds such as potent HIV integrase inhibitors active against raltegravir-resistant viruses. No clinical trials or approved indications exist for this compound.
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| Molecular Formula |
C4H8N2O
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|---|---|
| Molecular Weight |
100.12
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| Exact Mass |
100.063
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| CAS # |
694-32-6
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| PubChem CID |
567600
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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 |
289.8±7.0 °C at 760 mmHg
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| Melting Point |
116 °C
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| Flash Point |
129.1±18.2 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.467
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| LogP |
-0.42
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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 |
7
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| Complexity |
91.7
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1NCCN1C
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| InChi Key |
JTPZTKBRUCILQD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H8N2O/c1-6-3-2-5-4(6)7/h2-3H2,1H3,(H,5,7)
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| Chemical Name |
1-methylimidazolidin-2-one
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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 | 9.9880 mL | 49.9401 mL | 99.8801 mL | |
| 5 mM | 1.9976 mL | 9.9880 mL | 19.9760 mL | |
| 10 mM | 0.9988 mL | 4.9940 mL | 9.9880 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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