| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
No specific molecular target. It is a chemical building block and fragment for drug discovery.
|
|---|---|
| ln Vitro |
1,3-Dimethyluracil is a chemical reagent. Its in vitro activity is defined by its role as a precursor in chemical reactions, such as the preparation of 2,6-dihydroxynicotinamide. It is not a biologically active compound with a defined pharmacological activity.
|
| ln Vivo |
As a synthetic chemical, it is not expected to have intrinsic pharmacological activity in vivo. Its primary use is as a research chemical in drug discovery and synthesis.
|
| Enzyme Assay |
In vitro experiments typically use 1,3-dimethyluracil as a starting material or intermediate in organic synthesis. Its purity and physical properties (e.g., melting point 119-124°C) are key parameters. It may be used in fragment-based drug discovery screening to identify initial hits against protein targets.
|
| Cell Assay |
In cellular assays, 1,3-dimethyluracil is not typically used as a test compound. Instead, derivatives synthesized from it may be evaluated for biological activity.
|
| Animal Protocol |
In vivo animal experiments are not typical for this compound, as it is not a drug candidate but a chemical building block.
|
| ADME/Pharmacokinetics |
As a small, polar molecule, it is expected to have reasonable aqueous solubility. It is not a drug and is not administered therapeutically.
|
| Toxicity/Toxicokinetics |
1,3-Dimethyluracil is generally considered safe for laboratory use. However, as with all research chemicals, standard safety precautions should be observed. It is not intended for human therapeutic use.
|
| References | |
| Additional Infomation |
1,3-Dimethyluracil is a pyrimidinone compound consisting of uracil with methyl substituents at the 1 and 3 positions. It is a metabolite functionally related to uracil. 1,3-Dimethyluracil has been reported to be detected in Trypanosoma brevicornu, and relevant data are available for reference.
1,3-Dimethyluracil is a fragment molecule and scaffold for drug discovery. It is not a drug. |
| Molecular Formula |
C₆H₈N₂O₂
|
|---|---|
| Molecular Weight |
140.14
|
| Exact Mass |
140.058
|
| CAS # |
874-14-6
|
| PubChem CID |
70122
|
| Appearance |
White to off-white solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
208.4±23.0 °C at 760 mmHg
|
| Melting Point |
119-122 °C(lit.)
|
| Flash Point |
84.3±15.0 °C
|
| Vapour Pressure |
0.2±0.4 mmHg at 25°C
|
| Index of Refraction |
1.519
|
| LogP |
0.4
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
10
|
| Complexity |
210
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
JSDBKAHWADVXFU-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3
|
| Chemical Name |
1,3-dimethylpyrimidine-2,4-dione
|
| Synonyms |
1,3Dimethyluracil; 1,3 Dimethyluracil
|
| HS Tariff Code |
2934.99.9001
|
| 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 : ~25 mg/mL (~178.39 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (17.84 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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: ≥ 2.5 mg/mL (17.84 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (17.84 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.1357 mL | 35.6786 mL | 71.3572 mL | |
| 5 mM | 1.4271 mL | 7.1357 mL | 14.2714 mL | |
| 10 mM | 0.7136 mL | 3.5679 mL | 7.1357 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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