| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
The primary target is DNA, specifically cytosine residues involved in methylation regulation. It acts as a methyltransferase inhibitor, blocking enzymes responsible for adding methyl groups to cytosine molecules. The compound interacts with enzymes involved in generating oxidized derivatives of 5-methylcytosine (5-mC) that play important roles in epigenetic remodeling.
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| ln Vitro |
In vitro, 5-Methyl-2'-deoxycytidine-d3 is used to investigate DNA methylation patterns. The compound can act in cis to signal de novo DNA methylation in single-stranded DNA. Deuterium labeling allows precise tracking and quantification in metabolic analysis, enabling researchers to trace methylation patterns in genomic DNA.
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| ln Vivo |
Aberrant levels of 5-methylcytosine derivatives have been associated with different types of human cancers, and this labeled compound helps investigate these epigenetic changes. As an isostere of thymidine, the compound can be incorporated into DNA during replication.
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| Enzyme Assay |
In vivo, the deuterium-labeled nucleoside can be administered to rodents, and its incorporation into genomic DNA across different tissues can be quantified by LC-MS/MS. These studies provide insights into the dynamics of DNA methylation in disease models and during development, as well as the effects of environmental factors on methylation patterns.
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| Cell Assay |
A typical non-cell-based assay: isolated genomic DNA (1-5 ug) is denatured and enzymatically digested to nucleosides using nuclease P1 and alkaline phosphatase. The resulting mixture is analyzed by LC-MS/MS using a C18 column, with the deuterium-labeled 5-methyl-2'-deoxycytidine-d3 serving as internal standard to quantify endogenous 5-mdC levels by isotope dilution mass spectrometry.
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| Animal Protocol |
For cellular experiments: cells (e.g., cancer cell lines or primary cells, 5 × 10⁵ cells per condition) are cultured with 5-methyl-2'-deoxycytidine-d3 at concentrations of 1-50 uM for 24-72 hours. Genomic DNA is extracted using a commercial kit, subjected to enzymatic hydrolysis, and analyzed by LC-MS/MS to determine the extent of labeled nucleoside incorporation and methylation pattern changes under various treatment conditions.
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| ADME/Pharmacokinetics |
Animal experiments: rodents receive 5-methyl-2'-deoxycytidine-d3 via intraperitoneal injection (typically 1-10 mg/kg) or oral gavage daily for 5-14 days. Tissues (liver, brain, spleen) are collected post-mortem, genomic DNA is isolated, and the deuterium-labeled compound is quantified by LC-MS/MS to assess tissue-specific distribution, incorporation efficiency, and effects on global DNA methylation levels.
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| Toxicity/Toxicokinetics |
As a stable isotope-labeled compound, the deuterated version exhibits nearly identical physicochemical properties to the non-labeled parent, making it suitable as an internal standard for PK studies. Absorption, distribution, metabolism, and excretion can be studied by administering the labeled compound and quantifying it in biological fluids via LC-MS/MS.
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| References | |
| Additional Infomation |
At typical research concentrations (micromolar range), 5-methyl-2'-deoxycytidine-d3 exhibits low cytotoxicity. The presence of reactive oxygen species in cells can influence the formation of 5-mdC oxidation products. Long-term or high-dose exposure may potentially interfere with normal DNA methylation patterns and gene expression, but no significant acute toxicity has been reported at research-use levels.
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| Molecular Formula |
C10H12D3N3O4
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|---|---|
| Molecular Weight |
244.26
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| Exact Mass |
244.125
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| CAS # |
1160707-78-7
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| PubChem CID |
71750272
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| Appearance |
Typically exists as solids at room temperature
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| LogP |
0
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| Hydrogen Bond Donor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
17
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| Complexity |
393
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| Defined Atom Stereocenter Count |
3
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| SMILES |
CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O
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| InChi Key |
LUCHPKXVUGJYGU-BXKFBODDSA-N
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| InChi Code |
InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6-,7+,8+/m0/s1/i1D3
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| Chemical Name |
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trideuteriomethyl)pyrimidin-2-one
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| Synonyms |
5-Methyldeoxycytidine-d3
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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 | 4.0940 mL | 20.4700 mL | 40.9400 mL | |
| 5 mM | 0.8188 mL | 4.0940 mL | 8.1880 mL | |
| 10 mM | 0.4094 mL | 2.0470 mL | 4.0940 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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