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| Other Sizes |
| Targets |
5-Fluoro-5'-deoxycytidine targets DNA methyltransferases, the enzymes responsible for DNA methylation. As a cytidine analog, the compound inhibits DNA methyltransferase activity, leading to changes in DNA methylation patterns. This mechanism of action gives the compound potential anti-metabolic and anti-tumor activities.
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| ln Vitro |
In cell-free biochemical systems, 5-Fluoro-5'-deoxycytidine inhibits DNA methyltransferase activity. The compound is a cytidine analog that can be incorporated into DNA or interfere with methylation reactions. These activities demonstrate the compound's potential as an epigenetic modulator.
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| ln Vivo |
In cell-based assays, 5-Fluoro-5'-deoxycytidine exhibits anti-metabolic and anti-tumor activities. The compound inhibits DNA methyltransferases, leading to changes in DNA methylation and gene expression. These effects can result in inhibition of cell proliferation and induction of differentiation or apoptosis in cancer cells.
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| Enzyme Assay |
The cell-free DNA methyltransferase inhibition assay involves incubation of purified DNA methyltransferase enzyme with a DNA substrate and the compound at various concentrations. The reaction is typically performed using radiolabeled S-adenosylmethionine as the methyl donor, and the incorporation of methyl groups into DNA is measured. The IC50 is determined from dose-response curves.
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| Cell Assay |
Cell-based assays for anti-tumor activity involve culturing cancer cell lines and treating them with 5-Fluoro-5'-deoxycytidine at concentrations ranging from 0.1 to 100 μM. Cells are incubated for 24-72 hours, and cell viability is assessed using MTT or CCK-8 assays. The effect on DNA methylation is assessed by bisulfite sequencing or methylation-specific PCR. Changes in gene expression are evaluated by qRT-PCR.
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| Animal Protocol |
There is no established animal experimental protocol for 5-Fluoro-5'-deoxycytidine specifically. As a cytidine analog with anti-tumor activity, the compound could potentially be evaluated in animal models of cancer. Typical protocols for nucleoside analogs involve administration to tumor-bearing mice via intraperitoneal or oral routes.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 5-Fluoro-5'-deoxycytidine have not been extensively reported. As a small molecule with molecular weight of 245.21 g/mol, the compound would be expected to have reasonable bioavailability and tissue penetration. The compound is a cytidine analog and may be metabolized by cytidine deaminase. Further pharmacokinetic studies would be required.
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| Toxicity/Toxicokinetics |
Toxicity data for 5-Fluoro-5'-deoxycytidine are not well documented. As a cytidine analog that inhibits DNA methyltransferases, the compound may have effects on normal cells as well as cancer cells. Standard toxicity studies would be required to determine the safety profile.
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| References | |
| Additional Infomation |
5'-Deoxy-5-fluorocytidine is an N-glycoside compound.
5-Fluoro-5'-deoxycytidine is a research compound used to study DNA methylation and anti-tumor activity. It is a cytidine analog that inhibits DNA methyltransferases and has potential anti-metabolic and anti-tumor activities. It is not an approved pharmaceutical and has no clinical trial history. This product is intended for research use only. |
| Molecular Formula |
C9H12FN3O4
|
|---|---|
| Molecular Weight |
245.21
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| Exact Mass |
245.081
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| CAS # |
66335-38-4
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| PubChem CID |
10037499
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| Appearance |
White to off-white solid powder
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| Density |
1.8±0.1 g/cm3
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| Boiling Point |
437.9±55.0 °C at 760 mmHg
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| Melting Point |
196-198ºC
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| Flash Point |
218.6±31.5 °C
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| Vapour Pressure |
0.0±2.4 mmHg at 25°C
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| Index of Refraction |
1.700
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| LogP |
-0.94
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
17
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| Complexity |
411
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| Defined Atom Stereocenter Count |
4
|
| SMILES |
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)O)O
|
| InChi Key |
YSNABXSEHNLERR-ZIYNGMLESA-N
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| InChi Code |
InChI=1S/C9H12FN3O4/c1-3-5(14)6(15)8(17-3)13-2-4(10)7(11)12-9(13)16/h2-3,5-6,8,14-15H,1H3,(H2,11,12,16)/t3-,5-,6-,8-/m1/s1
|
| Chemical Name |
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidin-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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 | 4.0781 mL | 20.3907 mL | 40.7814 mL | |
| 5 mM | 0.8156 mL | 4.0781 mL | 8.1563 mL | |
| 10 mM | 0.4078 mL | 2.0391 mL | 4.0781 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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