| Size | Price | |
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| Other Sizes |
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
Following a single oral dose of theoBromotheophylline, absorption is rapid, reaching a peak plasma concentration of 2.5 mg/L within 0.78 hours. The mean residence time is 12 hours, with an AUC of 27 mg·h/L in the first 8 hours. Pharmacokinetics This pharmacokinetic profile has not been determined. Metabolism/Metabolites This pharmacokinetic profile has not been determined. Biological Half-Life The apparent elimination half-life is 21.35 hours. |
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| Toxicity/Toxicokinetics |
Protein Binding
The pharmacokinetic properties of this product have not yet been determined. |
| References |
[1]. Drabczyńska A, et al. Tricyclic oxazolo[2,3-f]purinediones: potency as adenosine receptor ligands and anticonvulsants. Bioorg Med Chem. 2004;12(18):4895-4908.
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| Additional Infomation |
Bromotheophylline is the active ingredient in pamabrom, a mixture of 2-amino-2-methylpropanol and Bromotheophylline. Bromotheophylline in this mixture is a weak diuretic and has been used in combination with some analgesics to relieve symptoms of premenstrual syndrome. Since March 1980, Bromotheophylline has been listed as an inactive pharmaceutical ingredient by the U.S. Food and Drug Administration (FDA). It has also been approved by Health Canada for use alone or in combination with [DB00316] in over-the-counter drug products.
See also: Pamabrom (active ingredient); Pyrbromide (active ingredient). Indications Bromotheophylline is used as a diuretic and may also be used in combination with [DB00316] to relieve temporary edema, bloating, swelling, and fullness caused before and during menstruation. Mechanism of Action Bromotheophylline belongs to the xanthine class of drugs. As a drug in this class, theophylline is thought to increase renal tubular permeability, improve glomerular filtration rate, and inhibit proximal tubular reabsorption of sodium. It is speculated (but not yet confirmed) that the pamabromine mixture appears to have an additional mechanism of action, in which the presence of 2-amino-2-methyl-1-propanol inhibits the secretion of antidiuretic hormone from the posterior pituitary gland. Pharmacodynamics The diuretic effect of theophylline immediately increases the frequency of urination. This effect helps relieve bloating and dysmenorrhea. This diuretic effect is achieved by increasing the glomerular filtration rate and possibly affecting renal tubular reabsorption, as it has been shown that taking these drugs leads to an increase in the concentration of sodium chloride in the urine, thereby increasing its excretion rate. |
| Molecular Formula |
C7H7BRN4O2
|
|---|---|
| Molecular Weight |
259.06
|
| Exact Mass |
257.975
|
| CAS # |
10381-75-6
|
| PubChem CID |
11808
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.9±0.1 g/cm3
|
| Boiling Point |
469.5±55.0 °C at 760 mmHg
|
| Melting Point |
295-297ºC
|
| Flash Point |
237.7±31.5 °C
|
| Vapour Pressure |
0.0±1.2 mmHg at 25°C
|
| Index of Refraction |
1.652
|
| LogP |
0.08
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
14
|
| Complexity |
297
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
BrC1=NC2=C(C(N(C([H])([H])[H])C(N2C([H])([H])[H])=O)=O)N1[H]
|
| InChi Key |
SKTFQHRVFFOHTQ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H7BrN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
|
| Chemical Name |
8-bromo-1,3-dimethyl-7H-purine-2,6-dione
|
| 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, 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)
|
| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.8601 mL | 19.3005 mL | 38.6011 mL | |
| 5 mM | 0.7720 mL | 3.8601 mL | 7.7202 mL | |
| 10 mM | 0.3860 mL | 1.9301 mL | 3.8601 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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