| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
The primary target of hUP1-IN-1 potassium is human uracil phosphoribosyltransferase 1 (hUP1), an enzyme that plays a critical role in the pyrimidine salvage pathway. hUP1 catalyzes the conversion of uracil and 5-phosphoribosyl-1-pyrophosphate (PRPP) to uridine monophosphate (UMP) and pyrophosphate. This pathway is essential for the synthesis of pyrimidine nucleotides, which are fundamental building blocks for DNA and RNA synthesis. By inhibiting hUP1, the compound disrupts the cellular pool of pyrimidine nucleotides, leading to impaired DNA replication and cell proliferation. This makes hUP1 a potential target for anticancer therapies, as rapidly dividing cancer cells have a high demand for nucleotides. The compound shows inhibitory activity with Ki and Kis values of 375 nM and 635 nM, respectively.
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| ln Vitro |
hUP1-IN-1 potassium demonstrates potent inhibitory activity against its target enzyme, hUP1. The compound has a Ki (inhibition constant) of 375 nM and a Kis (substrate inhibition constant) of 635 nM. At a concentration of 1 μM, it shows 70% inhibition of the hUP1-catalyzed reaction. These values confirm its effectiveness as a hUP1 inhibitor. The compound's inhibitory activity is well-characterized, and it is utilized as a tool compound in cancer research to study the effects of disrupting pyrimidine metabolism on cancer cell growth and survival. Further details on its specific effects on cancer cell lines are not extensively detailed in the available literature.
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| ln Vivo |
In vivo activity data for hUP1-IN-1 potassium are not available in the current scientific literature. As a hUP1 inhibitor with demonstrated in vitro activity, it is expected to have potential for in vivo studies in cancer models. However, specific animal model studies, dosing regimens, and quantitative outcomes such as tumor growth inhibition have not been reported. The compound's solubility in DMSO and a suggested formulation (10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline) provides a basis for potential in vivo administration. Further in vivo studies would be required to characterize its efficacy, safety, and pharmacokinetic properties.
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| Enzyme Assay |
In vitro enzyme assay protocols for hUP1-IN-1 potassium typically involve measuring its inhibition of hUP1 enzymatic activity. A standard protocol would involve incubating recombinant hUP1 enzyme with its substrate, uracil, and 5-phosphoribosyl-1-pyrophosphate (PRPP) in the presence of varying concentrations of the inhibitor. The reaction progress is monitored by measuring the formation of uridine monophosphate (UMP) using techniques such as HPLC or a coupled enzyme assay. The inhibition constant (Ki) and the substrate inhibition constant (Kis) are derived from the kinetic data. The compound's inhibitory activity is characterized by its Ki and Kis values of 375 nM and 635 nM, respectively.
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| Cell Assay |
hUP1-IN-1 potassium is primarily used as a tool compound in biochemical assays rather than in cell-based assays. However, for cell-based studies, a standard protocol would involve treating cancer cell lines with varying concentrations of the compound (typically 0.1-100 μM) for 24-72 hours. Cell proliferation and viability are then assessed using standard assays such as MTT, CellTiter-Glo, or direct cell counting. The effects on pyrimidine nucleotide pools can be measured by HPLC or LC-MS. The compound's ability to inhibit hUP1 in cells would be expected to result in reduced nucleotide levels and impaired cell proliferation. However, specific cell-based data for this compound have not been extensively reported.
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| Animal Protocol |
In vivo animal experimental protocols for hUP1-IN-1 potassium have not been established or reported in the available literature. As a research tool for cancer studies, a hypothetical protocol would involve using mouse xenograft models. Cancer cells would be implanted subcutaneously in immunodeficient mice, and after tumors are established, the compound would be administered. Based on its solubility, a formulation like 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline could be used for intraperitoneal or oral administration. Endpoints would include tumor volume measurement, tumor weight at necropsy, and assessment of nucleotide levels in tumor tissues.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of hUP1-IN-1 potassium have not been characterized in published studies. The compound has a molecular weight of 188.23. It is soluble in DMSO at 100 mg/mL (531.26 mM) with ultrasonic and warming to 80°C. For potential in vivo studies, a formulation of 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline has been suggested. Specific PK parameters such as half-life, Cmax, AUC, bioavailability, volume of distribution, and clearance have not been reported. The compound's metabolism, protein binding, and routes of elimination remain to be characterized.
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| Toxicity/Toxicokinetics |
No specific toxicological data for hUP1-IN-1 potassium are available in the published literature. The compound is intended for research use only and has not undergone systematic toxicity testing. As with all research chemicals, appropriate safety precautions should be taken when handling the compound, including working in a fume hood, wearing appropriate personal protective equipment, and avoiding inhalation, ingestion, or skin contact. The compound is not intended for human use.
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| References | |
| Additional Infomation |
hUP1-IN-1 potassium is a research-grade compound used as a tool to study the role of hUP1 in pyrimidine metabolism and cancer. It has not entered clinical trials and is not approved for any therapeutic indication. Its mechanism of action involves inhibition of hUP1, an enzyme in the pyrimidine salvage pathway, leading to disrupted nucleotide biosynthesis. The compound is a valuable tool for investigating the potential of targeting pyrimidine metabolism for anticancer therapy. It is available exclusively for research purposes and is not intended for diagnostic, therapeutic, or human applications.
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| Molecular Formula |
C7H7KN2O2
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|---|---|
| Molecular Weight |
190.240982294083
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| Exact Mass |
187.998
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| CAS # |
118803-30-8
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| PubChem CID |
146026988
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
12
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| Complexity |
322
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(C(=O)NC(=C1)[O-])C#N.[K+]
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| InChi Key |
PLXIXNNSODABNT-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C7H6N2O2.K/c1-4-2-6(10)9-7(11)5(4)3-8;/h2H,1H3,(H2,9,10,11);/q;+1/p-1
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| Chemical Name |
potassium;5-cyano-4-methyl-6-oxo-1H-pyridin-2-olate
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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 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)
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| Solubility (In Vitro) |
DMSO :~100 mg/mL (~531.26 mM; with sonication (<80°C))
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| Solubility (In Vivo) |
Solubility in Formulation 1: 3.75 mg/mL (19.92 mM) 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; with ultrasonication.
For example, if 1 mL of working solution is to be prepared,you can add 100 μL of 37.5 mg/mL clear DMSO stock solution and add it to 400 μL PEG300 and mix well. Then add 50 μL Tween-80 to the above system and mix well. Then continue to add 450 μL of physiological saline to make up 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: 3.75 mg/mL (19.92 mM) 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; with ultrasonication. For example, if 1 mL of working solution is to be prepared,you can add 100 μL of 37.5 mg/mL clear DMSO stock solution and add it to 900 μL of 20% SBE-β-CD saline solution 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. View More
Solubility in Formulation 3: 3.75 mg/mL (19.92 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one),clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.2565 mL | 26.2826 mL | 52.5652 mL | |
| 5 mM | 1.0513 mL | 5.2565 mL | 10.5130 mL | |
| 10 mM | 0.5257 mL | 2.6283 mL | 5.2565 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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