| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| Other Sizes |
| Targets |
5'-Ethynyl-2'-deoxycytidine targets herpes simplex virus (HSV) by inhibiting viral replication. Its primary antiviral target is the HSV-1 KOS strain. Additionally, the compound inhibits the proliferation of leukemia L1210 cells, indicating activity against cellular targets involved in DNA synthesis and cell division.
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| ln Vitro |
In vitro, 5'-Ethynyl-2'-deoxycytidine inhibits the cytopathic effect of HSV-1 in primary rabbit kidney cells with a minimum inhibitory concentration (MIC) of 0.2 μg/mL. It also inhibits the proliferation of leukemia L1210 cells with an IC50 of 64.5 μg/mL. These activities demonstrate its dual antiviral and antiproliferative properties in cell-based systems.
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| ln Vivo |
In vivo activity data for 5'-Ethynyl-2'-deoxycytidine are not extensively documented in the available literature. Most reported studies focus on its in vitro antiviral and antiproliferative effects. As a nucleoside analog, it would be expected to require phosphorylation to its active triphosphate form to exert its effects, similar to other nucleoside antiviral agents.
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| Enzyme Assay |
The non-cellular enzyme assay for 5'-Ethynyl-2'-deoxycytidine typically involves assessing its interaction with viral DNA polymerase or cellular DNA polymerases. The compound, after phosphorylation to its triphosphate form, can be evaluated for its ability to inhibit polymerase activity in cell-free systems using purified enzymes, radiolabeled nucleotides, and template-primer DNA substrates. Inhibition is quantified by measuring the incorporation of labeled nucleotides into nascent DNA strands.
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| Cell Assay |
In vitro cell-based assays for 5'-Ethynyl-2'-deoxycytidine involve culturing primary rabbit kidney cells infected with HSV-1. The cytopathic effect is monitored, and the MIC is determined as the lowest concentration that completely inhibits virus-induced cell damage. For antiproliferative activity, leukemia L1210 cells are cultured in growth medium, treated with varying concentrations of the compound, and cell viability is measured after 48-72 hours to determine the IC50 value.
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| Animal Protocol |
Specific in vivo animal study protocols for 5'-Ethynyl-2'-deoxycytidine are not well documented. Based on its mechanism as a nucleoside analog, potential in vivo studies could involve HSV-infected animal models (e.g., mouse or guinea pig models of HSV infection) to evaluate antiviral efficacy, or tumor-bearing mouse models to assess antitumor activity. Standard routes of administration and dosing regimens would apply.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 5'-Ethynyl-2'-deoxycytidine are not extensively characterized in the available literature. As a nucleoside analog with a molecular weight of 251.24, it is expected to have moderate aqueous solubility. Like other nucleoside analogs, it may be subject to metabolic degradation by nucleoside phosphorylases and deaminases, and its cellular uptake likely occurs via nucleoside transporters.
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| Toxicity/Toxicokinetics |
Toxicological data for 5'-Ethynyl-2'-deoxycytidine are not extensively reported. The compound is classified for research use only and is not approved for human therapeutic use. Standard safety precautions should be observed during handling. Its antiproliferative activity against L1210 leukemia cells suggests potential cytotoxicity against rapidly dividing cells, which would be a consideration for any therapeutic development.
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| References | |
| Additional Infomation |
Markers of cell replication activity; structures of primary origin
5'-Ethynyl-2'-deoxycytidine (5-EdC) is primarily a research tool compound used in antiviral and anticancer studies. Its ethynyl group allows for potential click chemistry applications. The compound has also been used to monitor DNA synthesis and cell proliferation when incorporated into DNA, allowing visualization of cell cycle progression and identification of proliferating cells. It is not an FDA-approved drug and has no marketing authorization. |
| Molecular Formula |
C11H13N3O4
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|---|---|
| Molecular Weight |
251.24
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| Exact Mass |
251.091
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| CAS # |
69075-47-4
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| PubChem CID |
15036533
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| Appearance |
Solid powder
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| Melting Point |
190 °C(dec.)
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| LogP |
0
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
18
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| Complexity |
476
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| Defined Atom Stereocenter Count |
3
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| SMILES |
O1[C@]([H])(C([H])([H])O[H])[C@@]([H])(C([H])([H])[C@]1([H])N1C(N=C(C(C#C[H])=C1[H])N([H])[H])=O)O[H]
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| InChi Key |
HMJSYXIPNSASJY-DJLDLDEBSA-N
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| InChi Code |
InChI=1S/C11H13N3O4/c1-2-6-4-14(11(17)13-10(6)12)9-3-7(16)8(5-15)18-9/h1,4,7-9,15-16H,3,5H2,(H2,12,13,17)/t7-,8+,9+/m0/s1
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| Chemical Name |
4-amino-5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-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 Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 | 3.9803 mL | 19.9013 mL | 39.8026 mL | |
| 5 mM | 0.7961 mL | 3.9803 mL | 7.9605 mL | |
| 10 mM | 0.3980 mL | 1.9901 mL | 3.9803 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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