| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
|
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| Other Sizes |
| Targets |
The compound targets thymidylate synthase (TS) (EC 2.1.1.45), the enzyme responsible for the de novo production of dTMP from dUMP. dUMP is used as the reference substrate in studies of dUMP analogues in potential chemotherapy applications.
|
|---|---|
| ln Vitro |
In vitro, dUMP is used as a substrate for thymidylate synthase in enzymatic assays. It is the reference substrate for studying dUMP analogues in potential chemotherapy applications. The conversion of dUMP to dTMP is a key step in DNA synthesis, and its inhibition is a target for anticancer and antimicrobial drugs.
|
| ln Vivo |
In vivo, dUMP is an intermediate in pyrimidine nucleotide metabolism. The conversion of dUMP to dTMP by thymidylate synthase is essential for DNA biosynthesis. Inhibition of this step is a key mechanism for controlling cell growth in bacterial and eukaryotic cells. The compound is used in studies of nucleotide metabolism and chemotherapy.
|
| Enzyme Assay |
In vitro enzyme assays for thymidylate synthase involve incubating the enzyme with dUMP and 5,10-methylenetetrahydrofolate as methyl donor in Tris-HCl buffer at pH 7.4, typically at 37°C. The reaction product, dTMP, is quantified by HPLC or spectrophotometric methods. Enzyme activity is measured by monitoring the formation of dTMP or the release of dihydrofolate. Kinetic parameters are determined by varying dUMP concentrations.
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| Cell Assay |
For in vitro cell assays, cells are cultured in medium supplemented with dUMP at concentrations of 0.1-10 mM. Cellular nucleotide levels are analyzed by LC-MS/MS. The compound's effects on DNA synthesis and cell proliferation are assessed by measuring thymidine incorporation or by quantifying dTMP and dUMP pools. Inhibition of dUMP to dTMP conversion is evaluated in cells treated with thymidylate synthase inhibitors.
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| Animal Protocol |
For in vivo animal studies, dUMP is administered to rodents via oral gavage or intravenous injection at doses of 10-100 mg/kg. Blood and tissue samples are collected for pharmacokinetic analysis. Nucleotide levels are quantified by LC-MS/MS. The compound is used in studies of pyrimidine metabolism and in chemotherapy research to evaluate dUMP analogues.
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| ADME/Pharmacokinetics |
Tissue distribution and metabolic effects are evaluated. dUMP disodium (MW 352.15) has a molecular formula of C9H13N2Na2O8P. It is soluble in water. The compound is stable under recommended storage conditions (powder at -20°C, in solvent at -80°C). It is a substrate for thymidylate synthase and is used as a reference substrate in chemotherapy research.
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| Toxicity/Toxicokinetics |
The compound is for research use only. No specific toxicity data are available. As a nucleotide metabolite, it is expected to have low toxicity at physiological concentrations. High doses may affect nucleotide metabolism and DNA synthesis. Standard safety precautions should be followed.
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| References | |
| Additional Infomation |
2'-Deoxyuridine 5'-monophosphate disodium (CAS# 42155-08-8) is a research reagent used primarily in studies of thymidylate synthase, nucleotide metabolism, and chemotherapy. It has not been investigated in clinical trials nor approved as a therapeutic drug. The compound is used as a substrate for thymidylate synthase and as a reference substrate for studying dUMP analogues in potential chemotherapy applications.
|
| Molecular Formula |
C9H11N2NA2O8P
|
|---|---|
| Molecular Weight |
352.15
|
| Exact Mass |
352.004
|
| CAS # |
42155-08-8
|
| Related CAS # |
964-26-1 (Parent)
|
| PubChem CID |
13957223
|
| Appearance |
White to off-white solid powder
|
| Density |
1.742 g/cm3
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| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
8
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
22
|
| Complexity |
477
|
| Defined Atom Stereocenter Count |
3
|
| SMILES |
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)([O-])[O-])O.[Na+].[Na+]
|
| InChi Key |
FXVXMLXAXVVONE-CDNBRZBRSA-L
|
| InChi Code |
InChI=1S/C9H13N2O8P.2Na/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17;;/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17);;/q;2*+1/p-2/t5-,6+,8+;;/m0../s1
|
| Chemical Name |
disodium;[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
|
| 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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
H2O: 250 mg/mL (709.92 mM)
DMSO: < 1 mg/mL |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (283.97 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
(Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8397 mL | 14.1985 mL | 28.3970 mL | |
| 5 mM | 0.5679 mL | 2.8397 mL | 5.6794 mL | |
| 10 mM | 0.2840 mL | 1.4198 mL | 2.8397 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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