| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| ln Vitro |
1-Methylxanthine (1-MTX; 3 mM; 30 min) promotes the death of radiation-induced clonogenic and apoptotic cells (RKO human colorectal cancer cells expressing wild type protein 53 kDa (p53))[2]. 1-Methylxanthine (1MX) functions similarly to other methylxanthines that are found in nature. Plants do not naturally produce large amounts of 1-methylxanthine and 3-methylxanthine (3MX) in contrast to theobromine, caffeine, and TP[1].
|
|---|---|
| ADME/Pharmacokinetics |
Metabolism / Metabolites
1-Methylxanthine is a known human metabolite of paraxanthine and theophylline. |
| References | |
| Additional Infomation |
1-methyl-7H-xanthine is a 1-methylxanthine tautomer where the imidazole proton is located at the 7-position. It has a role as a mouse metabolite. It is functionally related to a 7H-xanthine.
1-Methylxanthine has been reported in Camellia sinensis with data available. |
| Molecular Formula |
C6H6N4O2
|
|---|---|
| Molecular Weight |
166.1374
|
| Exact Mass |
166.049
|
| CAS # |
6136-37-4
|
| PubChem CID |
80220
|
| Appearance |
Yellow to brown solid powder
|
| Density |
1.5±0.1 g/cm3
|
| Melting Point |
≥300 °C
|
| Index of Refraction |
1.627
|
| LogP |
-1.52
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
12
|
| Complexity |
242
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
MVOYJPOZRLFTCP-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)
|
| Chemical Name |
1-methyl-3,7-dihydropurine-2,6-dione
|
| Synonyms |
1Methylxanthine; 1 Methylxanthine
|
| 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 (In Vitro) |
DMSO : ~10 mg/mL (~60.19 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (6.02 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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 mg/mL (6.02 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 10.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.0190 mL | 30.0951 mL | 60.1902 mL | |
| 5 mM | 1.2038 mL | 6.0190 mL | 12.0380 mL | |
| 10 mM | 0.6019 mL | 3.0095 mL | 6.0190 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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