| Size | Price | Stock | Qty |
|---|---|---|---|
| 500g |
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| Other Sizes |
| Targets |
N,N'-Dimethyltrimethyleneurea does not have a defined pharmacological target. It is an intermediate used in the preparation of naphthalocyanine compounds, which are near-infrared absorbing dyes. Its mechanism of action is chemical, serving as a building block for the synthesis of more complex molecules.
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|---|---|
| ln Vitro |
In vitro, N,N'-dimethyltrimethyleneurea is used as a biochemical reagent and synthetic intermediate. It can be used in the preparation of naphthalocyanine compounds (near-infrared absorbing dyes). As an intermediate, it is employed in various organic synthesis applications.
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| ln Vivo |
In vivo activity data for N,N'-dimethyltrimethyleneurea are not available, as the compound is a chemical intermediate 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, N,N'-dimethyltrimethyleneurea is used as a building block for the preparation of naphthalocyanine compounds. Standard protocols involve reacting the compound with appropriate reagents under controlled conditions to form the desired dye products.
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| Cell Assay |
For in vitro cell-based experiments, N,N'-dimethyltrimethyleneurea is not typically used directly in cell culture. It is a chemical intermediate used for organic synthesis. The compound may be used in the synthesis of dyes or other compounds that are subsequently tested in cell-based assays.
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| Animal Protocol |
In vivo animal studies for N,N'-dimethyltrimethyleneurea are not applicable, as the compound is a chemical intermediate used for synthesis. No animal studies have been conducted for this compound as a therapeutic agent.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for N,N'-dimethyltrimethyleneurea are not available, as the compound is not a drug and is not administered to living organisms. The compound has a molecular weight of 128.17 g/mol.
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| Toxicity/Toxicokinetics |
N,N'-Dimethyltrimethyleneurea is a research chemical and should be handled with appropriate laboratory safety precautions. It may cause serious eye injury and is harmful by ingestion. Standard safety practices include the use of personal protective equipment.
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| References | |
| Additional Infomation |
N,N'-Dimethyltrimethyleneurea (CAS 7226-23-5) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary application is as an intermediate in the preparation of naphthalocyanine compounds (near-infrared absorbing dyes).
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| Molecular Formula |
C6H12N2O
|
|---|---|
| Molecular Weight |
128.17
|
| Exact Mass |
128.094
|
| CAS # |
7226-23-5
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| PubChem CID |
81646
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| Appearance |
Colorless to light yellow liquid（Density：1.06 g/cm3）
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
240.1±0.0 °C at 760 mmHg
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| Melting Point |
-20 °C
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| Flash Point |
85.3±11.1 °C
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| Vapour Pressure |
0.0±0.4 mmHg at 25°C
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| Index of Refraction |
1.474
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| LogP |
0.36
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
9
|
| Complexity |
112
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C1N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])[H]
|
| InChi Key |
GUVUOGQBMYCBQP-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3
|
| Chemical Name |
1,3-dimethyl-1,3-diazinan-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)
|
| Solubility (In Vitro) |
DMSO: ~200 mg/mL (~1560.4 mM; with ultrasonication)
H2O: ≥ 100 mg/mL (~780.2 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (39.01 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 (50.0 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: ≥ 5 mg/mL (39.01 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 DMSO stock solution (50.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 5 mg/mL (39.01 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 (50.0 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 | 7.8021 mL | 39.0107 mL | 78.0214 mL | |
| 5 mM | 1.5604 mL | 7.8021 mL | 15.6043 mL | |
| 10 mM | 0.7802 mL | 3.9011 mL | 7.8021 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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