| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
As a labeled nucleoside analog, the primary targets are genomic DNA, specifically cytosine residues undergoing oxidative modification. The compound incorporates into DNA and participates in epigenetic remodeling pathways by generating oxidized derivatives of 5-methylcytosine that regulate gene expression and DNA methylation patterns.
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|---|---|
| ln Vitro |
In vitro studies show that 5-hydroxymethyl-2'-deoxycytidine-d3 enables precise tracking and quantification in biochemical assays. The non-labeled parent compound has demonstrated antiviral, anticancer, and ribonucleoside activities, making it useful for investigating DNA damage responses and cellular replication mechanisms.
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| ln Vivo |
In vivo distribution and metabolism studies using this deuterium-labeled compound allow researchers to trace the incorporation and turnover of 5-hydroxymethyl-2'-deoxycytidine in genomic DNA across various tissues. These studies provide insights into DNA oxidative damage repair pathways and epigenetic regulation in living organisms.
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| Enzyme Assay |
A typical non-cell-based assay involves LC-MS/MS quantification of the labeled compound after its incorporation into isolated genomic DNA. Genomic DNA is extracted, enzymatically digested to nucleosides, and the labeled 5hmdC-d3 levels are measured using mass spectrometry with selective ion monitoring. Calibration curves are prepared using authentic standards.
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| Cell Assay |
For cellular experiments, cultured cells (e.g., cancer cell lines or primary neurons) are incubated with 5hmdC-d3 at concentrations ranging from 1-100 uM for 24-72 hours. DNA is then extracted, enzymatically hydrolyzed, and analyzed by LC-MS/MS to quantify labeled nucleoside incorporation and assess cellular responses to oxidative stress or drug treatment.
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| Animal Protocol |
Animal studies involve administering the deuterium-labeled compound (typically 1-10 mg/kg via intraperitoneal injection or oral gavage) to rodents. Tissues such as liver, brain, and kidney are collected at various time points, and genomic DNA is isolated for LC-MS/MS analysis to assess tissue-specific incorporation and metabolism of the labeled nucleoside.
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| ADME/Pharmacokinetics |
Being a stable isotope-labeled compound with high isotopic purity (>98% deuterium incorporation), deuterium substitution minimally alters the parent compound's pharmacokinetic properties but may slightly affect metabolic stability. Standard nucleoside analog PK parameters including absorption, distribution, metabolism, and excretion can be studied using labeled compound as an internal standard in bioanalytical assays.
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| Toxicity/Toxicokinetics |
At typical research doses (micromolar to low millimolar range), 5-hydroxymethyl-2'-deoxycytidine-d3 exhibits minimal cytotoxicity. High concentrations or prolonged exposure may potentially interfere with DNA replication and repair mechanisms. Deuterium substitution generally reduces metabolic degradation rates compared to non-labeled compound but does not significantly alter acute toxicity profiles.
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| References | |
| Additional Infomation |
The compound serves as an oxidation derivative of 5-methyl-2'-deoxycytidine (5-mdC) in DNA and may serve as a marker of irreversibly damaged cells. It is primarily used for metabolic analysis, enabling precise tracking and quantification of individual atomic movement. No clinical trials have been conducted, and the compound is for research use only, not approved for therapeutic application.
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| Molecular Formula |
C10H12D3N3O5
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|---|---|
| Molecular Weight |
260.26
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| Exact Mass |
260.12
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| CAS # |
1585142-60-4
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| PubChem CID |
176102497
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| Appearance |
White to off-white solid
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| Hydrogen Bond Donor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
18
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| Complexity |
397
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| Defined Atom Stereocenter Count |
3
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| SMILES |
O=C1N=C(N)C(C([H])([H])O)=C([H])N1[C@H]1C[C@H](O)[C@@H](CO)O1
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| InChi Key |
HMUOMFLFUUHUPE-OJFLLEKNSA-N
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| InChi Code |
InChI=1S/C10H15N3O5/c11-9-5(3-14)2-13(10(17)12-9)8-1-6(16)7(4-15)18-8/h2,6-8,14-16H,1,3-4H2,(H2,11,12,17)/t6-,7-,8-/m1/s1/i2D,3D2
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| Chemical Name |
6-deuterio-5-[dideuterio(hydroxy)methyl]-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyrimidin-2-one
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| Synonyms |
5hmdC-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) |
DMSO: ~50 mg/mL (~192.1 mM; with ultrasonication)
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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 | 3.8423 mL | 19.2116 mL | 38.4231 mL | |
| 5 mM | 0.7685 mL | 3.8423 mL | 7.6846 mL | |
| 10 mM | 0.3842 mL | 1.9212 mL | 3.8423 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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