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| 5g |
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| Targets |
Urea-d4 does not have a specific pharmacological target as it is a stable isotope-labeled tracer rather than a therapeutic drug. Urea itself is a powerful protein denaturant that acts through both direct and indirect mechanisms, affecting protein structure and function. In biological systems, urea is involved in nitrogen metabolism and excretion. The deuterated form is used as a tracer to study these processes, with its "target" being the urea cycle and renal function pathways.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
In vitro activity of Urea-d4 is measured as its utility as a tracer rather than as a bioactive compound. In cell-free systems, urea is known to denature proteins at high concentrations. Urea-d4 can be used in protein denaturation studies to investigate protein folding and stability, with the deuterium label allowing for NMR spectroscopy analysis of protein-urea interactions. Its activity in biochemical assays is primarily as a probe for studying protein structure, dynamics, and the mechanisms of protein denaturation. |
| ln Vivo |
In vivo, urea-d4 is used to study nitrogen metabolism and renal function. Urea is a physiological regulator of nitrogen excretion in mammals, synthesized in the liver as an end-product of protein catabolism and excreted in urine. Blood urea nitrogen (BUN) is utilized to evaluate renal function. The deuterated compound serves as a tracer to study urea kinetics, distribution, and clearance in living organisms. It enhances the understanding of urea's role in biological processes and is used in research on renal function, metabolic disorders, and drug development.
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| Enzyme Assay |
In vitro enzyme assays with Urea-d4 typically involve studying urease, the enzyme that catalyzes the hydrolysis of urea to ammonia and carbon dioxide. The assay involves incubating urease with Urea-d4 in appropriate buffer (e.g., phosphate buffer, pH 7.0) at 37°C, and monitoring the release of deuterated ammonia (NH3/NH2D) by mass spectrometry or NMR. The kinetics of the reaction can be followed by measuring the disappearance of the substrate or the appearance of products. This approach allows for mechanistic studies of urease activity and the investigation of enzyme inhibitors.
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| Cell Assay |
Urea-d4 is not typically used in standard cell culture experiments as a bioactive compound. However, it may be employed in studies of urea transport and metabolism in cell lines. Cells such as renal epithelial cells (e.g., MDCK, HEK-293) can be cultured with Urea-d4 to study urea transporter function and expression. Cells are treated with the labeled compound, and intracellular and extracellular urea levels are measured by mass spectrometry. These experiments provide insights into urea handling by cells, the role of urea transporters, and the effects of urea on cellular functions.
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| Animal Protocol |
In vivo animal experiments with Urea-d4 typically involve administering the labeled compound via oral gavage, intravenous injection, or intraperitoneal injection to rodents or other animal models. Blood, urine, and tissue samples are collected at various time points, and isotopic enrichment of urea and its metabolites is measured by mass spectrometry. These studies provide quantitative data on urea kinetics, distribution volume, clearance rates, and the impact of renal function or disease states on urea metabolism. Urea-d4 is particularly valuable for studying kidney function and metabolic disorders.
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| ADME/Pharmacokinetics |
The pharmacokinetic (PK) properties of Urea-d4 are essentially identical to those of natural urea. Urea is a small, highly water-soluble molecule that is rapidly absorbed from the gastrointestinal tract and distributed throughout total body water. It is primarily excreted by the kidneys through glomerular filtration, with some tubular reabsorption. The plasma half-life of urea in humans is approximately 2-4 hours under normal conditions, but this can be prolonged in renal impairment. The deuterium label does not significantly alter its PK properties, making Urea-d4 an ideal tracer for studying urea kinetics and renal function.
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| Toxicity/Toxicokinetics |
Urea-d4 has a low toxicity profile consistent with natural urea. Urea itself is a normal component of mammalian metabolism and is generally safe at physiological concentrations. At high concentrations, urea can act as a protein denaturant. As a stable isotope-labeled compound, the deuterium label does not introduce additional toxicity. Standard laboratory safety practices are sufficient for handling Urea-d4. It is not classified as a hazardous substance and is used in research applications including as a diuretic agent and in evaluating renal function.
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| References |
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| Additional Infomation |
Urea-d4 is a research-grade stable isotope-labeled compound used primarily as a tracer in metabolic and clinical research. Its applications include studying urea metabolism, renal function, and nitrogen balance. It is also used as an internal standard in mass spectrometry-based metabolomics and as a probe in NMR spectroscopy. Urea itself is a potent emollient and keratolytic agent used in dermatology. The deuterated form is not a drug and has no therapeutic indications. It is available for laboratory research use only, enhancing the understanding of urea's role in biological processes and diagnostics.
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| Molecular Formula |
CD4N2O
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|---|---|
| Molecular Weight |
64.08
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| Exact Mass |
64.057
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| CAS # |
1433-11-0
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| Related CAS # |
Urea;57-13-6
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| PubChem CID |
2723980
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| Appearance |
White to off-white solid powder
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| Density |
1.212g/cm3
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| Boiling Point |
196.6ºC at 760mmHg
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| Melting Point |
132-135ºC(lit.)
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| Flash Point |
72.7ºC
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| Vapour Pressure |
0.395mmHg at 25°C
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| Index of Refraction |
1.468
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| LogP |
0.424
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
4
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| Complexity |
29
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]N([2H])C(=O)N([2H])[2H]
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| InChi Key |
XSQUKJJJFZCRTK-JBISRTOLSA-N
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| InChi Code |
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i/hD4
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| Chemical Name |
1,1,3,3-tetradeuteriourea
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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 | 15.6055 mL | 78.0275 mL | 156.0549 mL | |
| 5 mM | 3.1211 mL | 15.6055 mL | 31.2110 mL | |
| 10 mM | 1.5605 mL | 7.8027 mL | 15.6055 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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