| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg | |||
| Other Sizes |
| Targets |
Paraxanthine targets adenosine receptors as a nonselective, competitive inhibitor. It also acts as a competitive phosphodiesterase inhibitor, which increases intracellular cAMP, activates PKA, inhibits TNF-α and leukotriene synthesis. The compound acts as a Na+/K+ ATPase enzymatic effector. It provides protection against dopaminergic cell death via stimulation of ryanodine receptor channels. Paraxanthine is a PARP-1 inhibitor in pulmonary epithelial cells.
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| ln Vitro |
Long-term application of paraxanthine (PX) to cultures results in a dose-dependent increase in the number of TH+ neurons. At 100 μM, paraxanthine has a noticeable impact that steadily grows and reaches its peak between 800 and 1000 μM at 10 DIV. TH+ neuron counts at various phases of culture maturation suggest that paraxanthine is most likely to stop the loss of DA cells. At an ideal dose of 20 ng/mL, GDNF, a common trophic factor for DA neurons, was marginally more successful in saving DA neurons following 10 and 16 DIV than 800 μM paraxanthine. N3 demethylates around 80% of caffeine to produce paraxanthine, which is less efficient than paraxanthine in preventing the death of DA neurons. For instance, at 800 μM, caffeine only slightly raised the number of TH+ cells by 40% 10 DIV, but paraxanthine at the same dose maximally boosted the survival of DA cells (169% increase) [1].
In vitro, Paraxanthine exhibits a dose-dependent increase in the count of TH+ neurons in cultures, becoming significant at concentrations starting from 100 μM and reaching an optimum between 800 and 1000 μM at 10 days in vitro. It is significantly more effective than caffeine in promoting dopaminergic neuron survival, with 800 μM of Paraxanthine achieving a 169% increase in TH+ neuron count compared to 40% for caffeine. The compound acts as a competitive phosphodiesterase inhibitor. |
| ln Vivo |
In vivo, Paraxanthine provides protection against dopaminergic cell death via stimulation of ryanodine receptor channels. Studies suggest that Paraxanthine supplementation increases muscle mass, strength, and endurance in mice. It inhibits acute pulmonary and systemic inflammation. As a caffeine metabolite formed through N3-demethylation of approximately 80% of caffeine, it is significantly more effective than caffeine in promoting DA neuron survival.
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| Enzyme Assay |
In vitro receptor binding assays for Paraxanthine involve measuring affinity for adenosine receptors. Radioligand binding displacement studies are performed using membranes from cells expressing adenosine receptors. PARP-1 inhibition is assessed by measuring PARP-1 activity in pulmonary epithelial cells. Phosphodiesterase inhibition is measured by monitoring cAMP levels. Ryanodine receptor channel stimulation is assessed by measuring calcium flux. Assays are performed in appropriate buffer systems with positive controls such as caffeine.
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| Cell Assay |
In vitro cell-based assays for Paraxanthine are conducted in neuronal cell cultures to assess dopaminergic neuron survival. Cells are cultured in appropriate media and treated with Paraxanthine at concentrations ranging from 100 to 1000 μM. TH+ neuron count is measured to assess neuroprotection. For phosphodiesterase inhibition studies, cells are treated with the compound and cAMP levels are measured by ELISA. Cell viability is assessed by standard assays. Experiments are performed in triplicate with appropriate positive and negative controls.
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| Animal Protocol |
Paraxanthine in vivo studies are conducted in animal models for neuroprotection and muscle function assessment. Animals are treated with Paraxanthine via oral administration. For neuroprotection studies, dopaminergic cell death models are used and TH+ neuron survival is assessed. For muscle studies, muscle mass, strength, and endurance are measured. For inflammation studies, pulmonary and systemic inflammation models are used. Animals are monitored for clinical signs. Tissues and blood samples are collected for biochemical analysis at study endpoints. Studies are conducted in accordance with institutional animal care guidelines.
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| ADME/Pharmacokinetics |
Metabolism / Metabolites
Known metabolites of paraxanthine include 1,7-dimethyluric acid and 1-methylxanthine. Paraxanthine is a known metabolite of caffeine. Paraxanthine (MW 180.16 g/mol, C7H8N4O2) is soluble in ethanol (0.6 mg/ml), 0.1N NaOH (2 mg/ml), and water (1 mg/ml). It has a relative density of 1.6 g/cm3. The compound is stable as a powder at -20°C for 3 years and in solvent at -80°C for 1 year. Paraxanthine is a human xenobiotic metabolite, human serum metabolite, and mouse metabolite. It has been reported to be present in honeybees. |
| Toxicity/Toxicokinetics |
Paraxanthine is generally well-tolerated as a caffeine metabolite. It is a human xenobiotic metabolite and has been studied for its safety profile. The compound is considered safe for research applications. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard safety precautions should be followed when handling. Comprehensive toxicological evaluation would be required for therapeutic development.
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| References | |
| Additional Infomation |
1,7-Dimethylxanthine is a dimethylxanthine with its two methyl groups located at positions 1 and 7, respectively. It is a metabolite of caffeine and theobromine in animals. It acts as a central nervous system stimulant and is also a human xenobiotic metabolite, a human serum metabolite, and a mouse metabolite. Paraxanthine has been reported to be present in honeybees (Apis cerana), Chinese honeybees, and other organisms with relevant data.
Paraxanthine (1,7-dimethylxanthine) is the primary metabolite of caffeine and a psychoactive CNS stimulant. It acts as an adenosine receptor ligand, competitive phosphodiesterase inhibitor, PARP-1 inhibitor, and Na+/K+ ATPase effector. The compound provides protection against dopaminergic cell death via ryanodine receptor channel stimulation. Paraxanthine is used in neuroprotection, inflammation, and muscle function research. All applications are limited to non-human research use. |
| Molecular Formula |
C7H8N4O2
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|---|---|
| Molecular Weight |
180.1640
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| Exact Mass |
180.064
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| CAS # |
611-59-6
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| Related CAS # |
Paraxanthine-d6;117490-41-2;Paraxanthine-13C4,15N3;1173018-79-5
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| PubChem CID |
4687
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| Appearance |
White to off-white solid powder
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| Melting Point |
351 - 352 °C
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| LogP |
-0.2
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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 |
13
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| Complexity |
267
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C2=C(N=C([H])N2C([H])([H])[H])N([H])C(N1C([H])([H])[H])=O
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| InChi Key |
QUNWUDVFRNGTCO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
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| Chemical Name |
1,7-dimethyl-3H-purine-2,6-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 : ~25 mg/mL (~138.76 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.56 mg/mL (8.66 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 15.6 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: ≥ 1.56 mg/mL (8.66 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 15.6 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: ≥ 1.56 mg/mL (8.66 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.5506 mL | 27.7531 mL | 55.5062 mL | |
| 5 mM | 1.1101 mL | 5.5506 mL | 11.1012 mL | |
| 10 mM | 0.5551 mL | 2.7753 mL | 5.5506 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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