| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
|
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| Other Sizes |
| ADME/Pharmacokinetics |
Metabolism / Metabolites
This report summarizes the metabolic results of the labeled compound in rats and dogs. In the canine experiments, the compound (15 mg, labeled benzyl-1-C14-adenine) was mixed into a small piece of meat and fed to the animal. Urine was collected at 24 and 48 hours. Almost all radioactive material was excreted in the urine within 24 hours. Three metabolites were identified by co-chromatography: hippuric acid, benzoic acid, and benzyladenine (same as in rats). For animals given benzyladenine-8-C14, the metabolic profile was slightly different, and no other components besides the parent compound were identified. The excretion rate of the adenine label was slower. The metabolic profiles in rats and dogs were again similar. [California Environmental Protection Agency/Pesticide Management Department; Summary of Toxicological Data for Cytokinin and 6-Benzyladenine] |
|---|---|
| Toxicity/Toxicokinetics |
Toxicity Data
LC50 (Rabbit) = 5,200 mg/m³/1hr Non-human Toxicity Values Rabbit Dermal LD50: 5 g/kg Rabbit Inhalation LC50: 5.2 mg/L 1 hour Rat Oral LD50: 1.3 g/kg |
| References | |
| Additional Infomation |
N-Benzyladenine belongs to the 6-aminopurine class of compounds, and its structure is formed by replacing one amino hydrogen atom of adenine with a benzyl group. It is a plant metabolite and cytokinin, functionally related to adenine. 6-Benzylaminopurine has been reported to be present in hops (Humulus lupulus), rehmannia (Rehmannia glutinosa), and several other organisms with relevant data.
|
| Molecular Formula |
C12H11N5
|
|---|---|
| Molecular Weight |
225.2492
|
| Exact Mass |
225.101
|
| CAS # |
1214-39-7
|
| Related CAS # |
6-Benzylaminopurine-d5;2322358-20-1
|
| PubChem CID |
62389
|
| Appearance |
White to off-white solid powder
|
| Density |
1.4±0.1 g/cm3
|
| Boiling Point |
387.5±52.0 °C at 760 mmHg
|
| Melting Point |
230-233 °C
|
| Flash Point |
188.1±30.7 °C
|
| Vapour Pressure |
0.0±0.9 mmHg at 25°C
|
| Index of Refraction |
1.731
|
| LogP |
0.28
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
17
|
| Complexity |
241
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
NWBJYWHLCVSVIJ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
|
| Chemical Name |
N-benzyl-7H-purin-6-amine
|
| 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 : ~50 mg/mL (~221.98 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.10 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 25.0 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: ≥ 2.5 mg/mL (11.10 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 25.0 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (11.10 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 | 4.4395 mL | 22.1976 mL | 44.3951 mL | |
| 5 mM | 0.8879 mL | 4.4395 mL | 8.8790 mL | |
| 10 mM | 0.4440 mL | 2.2198 mL | 4.4395 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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