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3'-Deoxycytidine (3'-deoxycytidine (3'-DC))

Cat No.:V55980 Purity: ≥98%
4-Amino-1-((2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one (3'-Deoxycytidine) is an analogue of purine nucleoside.
3'-Deoxycytidine (3'-deoxycytidine (3'-DC))
3'-Deoxycytidine (3'-deoxycytidine (3'-DC)) Chemical Structure CAS No.: 7057-33-2
Product category: Nucleoside Antimetabolite/Analog
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
4-Amino-1-((2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one (3'-Deoxycytidine) is an analogue of purine nucleoside. Purine nucleoside analogues have broad-spectrum anticancer effect targeting indolent lymphoid malignancies. The anti-cancer mechanism in this process relies on inhibiting DNA synthesis and inducing apoptosis.
3'-Deoxycytidine (3'-DC) is a cytidine nucleoside analog. Nucleoside analogs are used in cancer research and antiviral studies. The compound features a 3'-deoxyribose sugar, lacking the 3'-hydroxyl group required for DNA chain elongation. It is a research-grade compound not approved for human therapeutic use.
Biological Activity I Assay Protocols (From Reference)
Targets
Cytidine metabolism pathways, DNA synthesis. As a cytidine analog, 3'-Deoxycytidine is incorporated into DNA but lacks the 3'-hydroxyl group needed for chain elongation, acting as a chain terminator. The compound targets rapidly dividing cells and viral replication.
ln Vitro
3'-Deoxycytidine demonstrates activity as a cytidine nucleoside analog and DNA chain terminator in cellular assays. Nucleoside analogs have applications in cancer and antiviral research. Detailed IC50 values have not been disclosed. The compound is primarily used as a research tool.
ln Vivo
In vivo activity of 3'-Deoxycytidine has not been extensively characterized. As a chain-terminating nucleoside analog, it would be expected to have activity in animal models of cancer or viral infection. In vivo studies would be needed to evaluate its therapeutic potential.
Enzyme Assay
In vitro assays for cytidine nucleoside analogs involve measuring inhibition of DNA synthesis. The compound is incubated with cancer cells, and DNA synthesis inhibition is measured by radiolabeled thymidine incorporation. Cell viability is assessed by MTT assays.
Cell Assay
Cells are cultured and treated with 3'-Deoxycytidine at concentrations typically ranging from 0.1–100 μM for 24–72 hours. DNA synthesis inhibition is measured by BrdU incorporation. Cell viability is assessed by standard assays.
Animal Protocol
In vivo animal studies have not been reported. The compound is primarily used as a research tool. Future studies in xenograft or viral infection models would be needed.
ADME/Pharmacokinetics
Pharmacokinetic data have not been published. The compound is a cytidine analog with expected cellular uptake. In vivo PK parameters have not been characterized.
Toxicity/Toxicokinetics
Toxicology data have not been published. The compound is for research use only and not approved for human therapeutic applications.
References

[1]. Robak T, Robak P. Purine nucleoside analogs in the treatment of rarer chronic lymphoid leukemias. Curr Pharm Des. 2012;18(23):3373-88.

Additional Infomation
3'-Deoxycytidine (CAS: 7057-33-2) is a cytidine nucleoside analog and DNA chain terminator. It is used in nucleoside analog research. It is not in clinical trials and has no regulatory approval.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C9H13N3O4
Molecular Weight
227.22
Exact Mass
227.09
CAS #
7057-33-2
PubChem CID
145986
Appearance
White to light yellow solid powder
Density
1.7±0.1 g/cm3
Boiling Point
497.6±55.0 °C at 760 mmHg
Flash Point
254.8±31.5 °C
Vapour Pressure
0.0±2.9 mmHg at 25°C
Index of Refraction
1.720
LogP
-1.7
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Heavy Atom Count
16
Complexity
355
Defined Atom Stereocenter Count
3
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)CO
InChi Key
ZHHOTKZTEUZTHX-SHYZEUOFSA-N
InChi Code
InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-6(14)3-5(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
Chemical Name
4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
HS Tariff Code
2934.99.9001
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)
Solubility Data
Solubility (In Vitro)
DMSO: ~100 mg/mL (~440.1 mM; with ultrasonication)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.00 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.5 mg/mL (11.00 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 4.4010 mL 22.0051 mL 44.0102 mL
5 mM 0.8802 mL 4.4010 mL 8.8020 mL
10 mM 0.4401 mL 2.2005 mL 4.4010 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.

Calculator

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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