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4,6-Dihydroxypyrimidine

Cat No.:V66140 Purity: ≥98%
4,6-Dihydroxypyrimidine is a biochemical compound that may be utilized as a biomaterial or organic/chemical reagent for biomedical research.
4,6-Dihydroxypyrimidine
4,6-Dihydroxypyrimidine Chemical Structure CAS No.: 1193-24-4
Product category: Biochemical Assay Reagents
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
4,6-Dihydroxypyrimidine is a biochemical compound that may be utilized as a biomaterial or organic/chemical reagent for biomedical research.
4,6-Dihydroxypyrimidine (CAS 1193-24-4) is a hydroxypyrimidine compound with molecular formula C4H4N2O2 and molecular weight 112.09. It appears as a yellow to orange solid powder with a melting point >300°C. This biochemical compound is utilized as a biomaterial or organic/chemical reagent for biomedical research. The compound features a pyrimidine ring with two hydroxyl groups at the 4 and 6 positions and exists in tautomeric forms including 4-hydroxy-1H-pyrimidin-6-one. It is intended for research use only.
Biological Activity I Assay Protocols (From Reference)
Targets
4,6-Dihydroxypyrimidine does not have a defined primary drug target as it is primarily a biochemical reagent rather than a therapeutic agent. As a pyrimidine derivative, it may interact with enzymes involved in pyrimidine metabolism or nucleic acid synthesis in cell-based assays. The compound can serve as a precursor or building block for the synthesis of more complex pyrimidine-containing pharmaceuticals. No specific receptor or enzyme targets have been characterized for this compound in pharmacological literature.
ln Vitro
No specific in vitro pharmacological activity data are available for 4,6-dihydroxypyrimidine as a drug candidate. In research applications, the compound is used as a biochemical reagent and synthetic intermediate. It may be evaluated in cell-based assays for its effects on pyrimidine-related metabolic pathways or as a precursor for the synthesis of bioactive molecules. Typical working concentrations and incubation conditions are determined based on the specific experimental design.
ln Vivo
No specific in vivo pharmacological activity data have been documented for 4,6-dihydroxypyrimidine. The compound is used exclusively as a research reagent and has not been developed as a therapeutic agent. For animal studies, the compound can be formulated using standard injection vehicles such as DMSO:Tween 80:saline mixtures for administration. Dosing protocols should be established based on the specific research objectives and approved animal protocols.
Enzyme Assay
For non-cellular enzyme or receptor binding assays involving 4,6-dihydroxypyrimidine, the compound can be tested as a potential substrate, inhibitor, or modulator of pyrimidine-metabolizing enzymes. Typical protocols involve incubating the compound with purified enzyme preparations in appropriate buffer systems at 37°C, followed by detection of enzymatic activity using spectrophotometric, fluorometric, or chromatographic methods. Control reactions without the compound and with known inhibitors should be included for reference.
Cell Assay
For in vitro cell-based studies, 4,6-dihydroxypyrimidine is typically dissolved in DMSO to prepare a stock solution, then diluted in cell culture medium to the desired working concentrations. Cells are cultured under standard conditions (37°C, 5% CO2) and treated with the compound for various durations. Cellular responses can be assessed using assays for viability (MTT, CCK-8), proliferation, apoptosis, or specific metabolic markers. Appropriate vehicle controls and positive controls should be included in the experimental design.
Animal Protocol
For in vivo animal studies, 4,6-dihydroxypyrimidine can be administered via injection using formulations such as DMSO:Tween 80:saline (10:5:85) or other suitable vehicles. The compound powder should be stored at -20°C for up to 3 years or at 4°C for up to 2 years; in solvent, it is stable at -80°C for 6 months or at -20°C for 1 month. Dosing solutions should be freshly prepared and administered according to the specific protocol with appropriate control groups.
ADME/Pharmacokinetics
Pharmacokinetic properties of 4,6-dihydroxypyrimidine have not been characterized as it is a research reagent. The compound has a logP of -1.9, indicating hydrophilic character. It has 2 hydrogen bond donors and 3 hydrogen bond acceptors. Storage recommendations: powder at -20°C for 3 years or 4°C for 2 years; in solvent at -80°C for 6 months or -20°C for 1 month. Solubility: may dissolve in DMSO; other solvents such as water, ethanol, or DMF may also be tested.
Toxicity/Toxicokinetics
Toxicological data for 4,6-dihydroxypyrimidine are limited as it is a research reagent. The compound is for research use only and not for human therapeutic use. Standard laboratory safety precautions should be followed when handling this chemical. No specific LD50 values, carcinogenicity data, or reproductive toxicity studies have been reported in the literature. The compound should be handled with appropriate personal protective equipment.
Additional Infomation
4,6-Dihydroxypyrimidine is a hydroxypyrimidine.
4,6-Dihydroxypyrimidine (CAS 1193-24-4) is a hydroxypyrimidine biochemical reagent used in biomedical research. It is also known as 4,6-pyrimidinediol, 6-hydroxy-4(1H)-pyrimidinone, and 4(3H)-pyrimidinone, 6-hydroxy-. The compound has a density of 1.5±0.1 g/cm³, boiling point of 358.5±22.0°C, and flash point of 170.6±22.3°C. No clinical trials or regulatory approvals exist for human use; the product is exclusively for research purposes.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C4H4N2O2
Molecular Weight
112.09
Exact Mass
112.027
CAS #
1193-24-4
PubChem CID
14512
Appearance
Yellow to orange solid powder
Density
1.5±0.1 g/cm3
Boiling Point
358.5±22.0 °C at 760 mmHg
Melting Point
>300 °C(lit.)
Flash Point
170.6±22.3 °C
Vapour Pressure
0.0±0.8 mmHg at 25°C
Index of Refraction
1.640
LogP
-1.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Heavy Atom Count
8
Complexity
171
Defined Atom Stereocenter Count
0
SMILES
O([H])C1=C([H])C(N([H])C([H])=N1)=O
InChi Key
DUFGYCAXVIUXIP-UHFFFAOYSA-N
InChi Code
InChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)
Chemical Name
4-hydroxy-1H-pyrimidin-6-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

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)
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
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 8.9214 mL 44.6070 mL 89.2140 mL
5 mM 1.7843 mL 8.9214 mL 17.8428 mL
10 mM 0.8921 mL 4.4607 mL 8.9214 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

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
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)
  • Click the “Calculate” button
  • 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
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
/

Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
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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