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2-Deoxyribose 5-phosphate disodium

Cat No.:V42106 Purity: ≥98%
2-Deoxyribose 5-phosphate disodium is a substrate of 2-deoxyribose-5-phosphate aldolase (DERA).
2-Deoxyribose 5-phosphate disodium
2-Deoxyribose 5-phosphate disodium Chemical Structure CAS No.: 102916-66-5
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
Other Sizes
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Product Description
2-Deoxyribose 5-phosphate disodium is a substrate of 2-deoxyribose-5-phosphate aldolase (DERA). DERA belongs to class I aldolase, which catalyzes reversible aldol reactions without any cofactors.
2-Deoxyribose 5-phosphate disodium (CAS#: 102916-66-5) is an endogenous, phosphorylated deoxyribose sugar and a key biochemical intermediate in nucleotide metabolism. It is specifically the disodium salt form of 2-deoxyribose-5-phosphate, which is the phosphorylated form of the deoxyribose sugar found in DNA. This compound is a critical substrate for the enzyme 2-deoxyribose-5-phosphate aldolase (DERA) and is used in chemoenzymatic synthesis.
Biological Activity I Assay Protocols (From Reference)
Targets
The compound is a substrate for the enzyme 2-deoxyribose-5-phosphate aldolase (DERA), a class I aldolase that catalyzes the reversible aldol condensation of acetaldehyde with glyceraldehyde-3-phosphate to form 2-deoxyribose-5-phosphate. It is also a substrate for deoxyribokinase and deoxyribonucleoside kinases and plays a role in the cellular metabolic network regulating nucleotide pools for DNA replication and repair.
ln Vitro
As a natural metabolite, 2-deoxyribose 5-phosphate disodium does not exert pharmacological activity. Instead, it serves as an essential substrate for biochemical and enzymatic reactions. Its primary "activity" is its ability to be converted by DERA into other metabolites, forming the basis of the deoxyribonucleotide salvage pathway. It is widely used as a starting material for the chemoenzymatic preparation of natural and modified purine and pyrimidine deoxynucleosides.
ln Vivo
This compound is not a drug and is not used for in vivo activity studies in the context of treating a disease. It is a research tool for studying enzymatic mechanisms and for the in vitro synthesis of deoxynucleosides. Its "in vivo activity" is limited to its role as a natural metabolite, but it is not administered for any therapeutic effect. Exogenously administered compound would be rapidly metabolized via normal catabolic pathways.
Enzyme Assay
To measure DERA activity, an enzyme assay is performed in a buffer containing 2-deoxyribose 5-phosphate disodium as the substrate. The purified DERA enzyme, along with varying concentrations of the compound, is incubated in a suitable buffer (e.g., 50 mM Tris-HCl, pH 7.5). The reaction is initiated by adding the substrate and is carried out at 37degC. The conversion of the substrate to products (acetaldehyde and glyceraldehyde-3-phosphate) is measured indirectly by a coupled enzyme assay using triose phosphate isomerase and alpha-glycerophosphate dehydrogenase, monitoring the oxidation of NADH at 340 nm.
Cell Assay
As a cellular metabolite, the compound is not used for direct cell stimulation. Instead, it is used as a reagent in cell-free systems or as a supplement in culture media for certain microorganisms. For mammalian cells, the compound can be used in metabolic labeling studies where cells are cultured with stable isotope-labeled 2-deoxyribose 5-phosphate to trace the metabolic flux of the deoxyribonucleotide salvage pathway via LC-MS analysis.
Animal Protocol
In vivo animal experiments are not applicable for this compound, as it is a research reagent for biochemical and enzymological studies. If used in an animal model, it would be part of a pharmacokinetic tracing study using a stable isotope-labeled version to study the absorption, distribution, and metabolism of deoxyribose phosphates. A protocol would involve intravenous administration of the labeled compound to mice, followed by serial blood collection and LC-MS analysis.
ADME/Pharmacokinetics
2-Deoxyribose 5-phosphate disodium is a small, highly polar, water-soluble molecule. Its pharmacokinetics are similar to that of a naturally occurring metabolite; it would be rapidly cleared from the systemic circulation via renal filtration and cellular uptake. Specific quantitative PK parameters are not studied or required for this compound, as it is not a therapeutic candidate. Its primary properties of interest are solubility and enzymatic stability.
Toxicity/Toxicokinetics
2-Deoxyribose 5-phosphate disodium is an endogenous metabolite and is considered non-toxic at physiological concentrations. In research settings, standard laboratory safety practices are sufficient. High systemic concentrations are not expected to be toxic but could potentially disrupt normal nucleotide pool balance. Its primary use is as a biochemical tool, not as a therapeutic, and formal toxicological studies are not routinely performed for its use as a reagent.
References

[1]. Characterization and application of a newly synthesized 2-deoxyribose-5-phosphate aldolase. J Ind Microbiol Biotechnol. 2013 Jan;40(1):29-39.

Additional Infomation
2-Deoxyribose 5-phosphate disodium is a fundamental research tool in biochemistry and enzymology. It is the natural substrate for the class I aldolase DERA, an enzyme that has garnered industrial interest for its use in the "de novo" synthesis of novel sugars and complex molecules via carbon-carbon bond formation. Therefore, this compound is not a drug but a key starting material and substrate for applied biocatalysis and synthetic biology.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C5H9NA2O7P
Molecular Weight
258.07
Exact Mass
234.998
CAS #
102916-66-5
PubChem CID
87357745
Appearance
White to off-white solid powder
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
5
Heavy Atom Count
15
Complexity
188
Defined Atom Stereocenter Count
2
SMILES
C(C=O)[C@@H]([C@@H](COP(=O)([O-])[O-])O)O.[Na+].[Na+]
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: Please store this product in a sealed and protected environment, 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)
Solubility Data
Solubility (In Vitro)
DMSO : ~100 mg/mL (~387.49 mM)
H2O : ~83.33 mg/mL (~322.90 mM)
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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*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 : PEG300Tween 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).
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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)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL 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).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 3.8749 mL 19.3746 mL 38.7492 mL
5 mM 0.7750 mL 3.8749 mL 7.7498 mL
10 mM 0.3875 mL 1.9375 mL 3.8749 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?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • 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:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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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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