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| Other Sizes |
| Targets |
Thymine targets DNA polymerases and other enzymes involved in DNA replication and repair. As a nucleobase, thymine is incorporated into DNA during replication through base pairing with adenine. It also serves as a substrate for various enzymes involved in nucleotide metabolism, including thymidine kinase, thymidylate synthase, and dihydrofolate reductase. The compound's primary role is as a structural component of DNA, and it does not have a specific therapeutic target in the traditional sense. However, thymine analogues are used as anticancer and antiviral agents.
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| ln Vitro |
In vitro, thymine is used as a substrate for studying DNA polymerase activity, nucleotide metabolism, and DNA repair mechanisms. It is incorporated into DNA during replication and can be used to label newly synthesized DNA. Thymine is also a precursor for the synthesis of thymidine and thymidine triphosphate (TTP), which are essential for DNA synthesis. The compound's role in DNA structure and function makes it a fundamental tool in molecular biology research.
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| ln Vivo |
In vivo, thymine is a natural component of DNA and is essential for life. It is obtained through the diet and synthesized de novo via the pyrimidine biosynthesis pathway. Thymine is incorporated into DNA during replication and is critical for the maintenance of genomic integrity. Deficiencies in thymine metabolism can lead to genetic instability and disease. The compound is also a precursor for the synthesis of thymidine, which is used in various metabolic processes.
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| Enzyme Assay |
In vitro non-cell enzyme assays for thymine typically involve measuring the activity of enzymes involved in thymine metabolism, such as thymidine kinase, thymidylate synthase, or dihydrofolate reductase. These assays use thymine or its derivatives as substrates and measure product formation using spectrophotometric, radiometric, or HPLC-based methods. Binding studies can be performed to assess the interaction of thymine with DNA or with thymine-binding proteins.
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| Cell Assay |
In vitro cell-based assays for thymine use various cell lines to study DNA replication, nucleotide metabolism, and DNA repair. Cells are cultured in media containing thymine or thymidine, and parameters such as DNA synthesis (incorporation of radiolabeled thymidine), cell proliferation, and cell cycle progression are assessed. Thymine analogues such as bromodeoxyuridine (BrdU) are commonly used to label dividing cells for proliferation studies.
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| Animal Protocol |
In vivo animal studies for thymine are primarily nutritional or toxicological, as thymine is a natural component of DNA. Standard protocols for studying nucleotide metabolism involve administering radiolabeled thymine or thymidine to rodents and measuring incorporation into DNA in various tissues. Thymine analogues such as 5-fluorouracil and 5-fluorodeoxyuridine are used in animal models of cancer to study their antitumor effects and mechanisms of action.
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| ADME/Pharmacokinetics |
Thymine has a molecular weight of 126.11 g/mol and a molecular formula of C₅H₆N₂O₂. It is a white crystalline powder with a melting point of approximately 320°C (dec.). The compound is also known as 2,4(1H,3H)-pyrimidinedione, 5-methyl-; 2,4-dihydroxy-5-methylpyrimidine; and 5-methyluracil. It is soluble in water and basic solutions. Thymine is a natural component of DNA and is obtained through the diet or synthesized de novo. It is metabolized to thymidine and thymidine triphosphate for incorporation into DNA.
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| Toxicity/Toxicokinetics |
Thymine is generally recognized as safe at normal dietary levels as it is a natural component of DNA. However, high doses may cause metabolic disturbances. Thymine analogues such as 5-fluorouracil are cytotoxic and used as anticancer agents. The compound is classified as a research reagent and is not intended for therapeutic use as a standalone agent. Standard laboratory safety precautions should be followed when handling the compound.
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| References | |
| Additional Infomation |
Thymine is a pyrimidine nucleobase formed by replacing the 5-hydrogen molecule of uracil with a methyl group. It is found in humans, E. coli, and mice as a metabolite. It is both a pyrimidine nucleobase and a pyrimidinone. Thymine is a metabolite of E. coli (K12 strain, MG1655 strain) or is produced by E. coli. Thymine has been reported in Pyrodactylus velutipes, Huperzia serrulata, and other organisms with relevant data. Thymine is a metabolite of Saccharomyces cerevisiae or is produced by Saccharomyces cerevisiae. It is one of the four constituent bases of DNA. See also: pyrimidine (subclass); 6-dehydrotestosterone; 17-glucuronic acid (note moved here).
Thymine is a pyrimidine nucleobase found in DNA and is also known as 5-methyluracil. It pairs with adenine in DNA through two hydrogen bonds. Thymine was first isolated from calf thymus, which gave the compound its name. It is used as a research tool in nucleic acid chemistry, drug development, and the design of nucleotide-based therapeutics and diagnostics. Thymine is also a precursor for the synthesis of thymidine and thymidine triphosphate. Not approved for therapeutic use; intended for research purposes only. |
| Molecular Formula |
C5H6N2O2
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|---|---|
| Molecular Weight |
126.1133
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| Exact Mass |
126.042
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| CAS # |
65-71-4
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| Related CAS # |
28806-14-6
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| PubChem CID |
1135
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
403.8±37.0 °C at 760 mmHg
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| Melting Point |
320 °C
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| Flash Point |
198.0±26.5 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.614
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| LogP |
-2.09
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
9
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| Complexity |
195
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CNC(=O)NC1=O
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| InChi Key |
RWQNBRDOKXIBIV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
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| Chemical Name |
5-methyl-1H-pyrimidine-2,4-dione
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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 |
| 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) |
DMSO : ~100 mg/mL (~792.96 mM)
H2O : ~5 mg/mL (~39.65 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.82 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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 (19.82 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (19.82 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 4.17 mg/mL (33.07 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication (<60°C). |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.9296 mL | 39.6479 mL | 79.2959 mL | |
| 5 mM | 1.5859 mL | 7.9296 mL | 15.8592 mL | |
| 10 mM | 0.7930 mL | 3.9648 mL | 7.9296 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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