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| 5mg |
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| Targets |
6-Benzylaminopurine-d5 targets the same biological pathways as unlabeled 6-benzylaminopurine, a cytokinin that regulates plant growth and development. Cytokinins are plant hormones that promote cell division, shoot formation, and delay senescence. The deuterium-labeled compound is primarily used as a tracer in mass spectrometry and analytical studies rather than for biological targeting. It allows for the quantification and tracking of cytokinin metabolism in plant and cellular systems.
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| ln Vitro |
6-Benzylaminopurine-d5 is a deuterium-labeled cytokinin used as an analytical standard and tracer. 6-Benzylaminopurine, the unlabeled parent compound, is a cytokinin that promotes cell division and shoot formation in plants. The labeled compound allows for the quantification and tracking of cytokinin metabolism in plant tissues and cellular systems. It is used in studies involving plant growth regulators, cytokinin activity, and cellular signaling pathways.
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| ln Vivo |
In vivo, 6-benzylaminopurine (the unlabeled parent compound) is a cytokinin that regulates plant growth and development. 6-Benzylaminopurine-d5 can be administered to plants as a tracer to study cytokinin metabolism and transport. The labeled compound is detected by mass spectrometry, allowing for the quantification of cytokinin flux in various plant tissues. Specific in vivo efficacy studies for the labeled compound are not applicable, as it is used as an analytical tracer rather than a therapeutic agent.
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| Enzyme Assay |
In vitro assays for 6-benzylaminopurine-d5 typically involve its use as an internal standard or tracer in mass spectrometry-based analytical studies. The compound is added to plant extracts or biological samples at known concentrations. Samples are analyzed by LC-MS/MS to quantify cytokinins and their metabolites. Standard protocols involve extraction, purification, and mass spectrometric analysis. The compound is dissolved in appropriate solvents such as methanol or DMSO for assay preparation.
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| Cell Assay |
In vitro cellular assays for 6-benzylaminopurine-d5 typically involve treating plant cell cultures or tissues with the labeled compound to study cytokinin uptake, metabolism, and signaling. Cells are incubated with the labeled cytokinin for various time periods, and extracts are analyzed by mass spectrometry to quantify cytokinin metabolites. The labeled compound allows for the tracking of cytokinin metabolism and the study of cytokinin signaling pathways in plant cells.
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| Animal Protocol |
In vivo animal studies for 6-benzylaminopurine-d5 are not applicable, as the compound is a plant growth regulator used for plant research rather than a therapeutic agent for animals. Studies are conducted in plant systems to evaluate cytokinin metabolism and transport. The compound is applied to plant tissues or whole plants, and samples are collected for mass spectrometry analysis. The compound is not intended for human or animal therapeutic use.
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| ADME/Pharmacokinetics |
6-Benzylaminopurine-d5 has a molecular weight of 230.28 g/mol and formula C12H6D5N5. Recommended storage is powder at -20°C for 3 years and at 4°C for 2 years. The compound is soluble in organic solvents such as DMSO and methanol. Detailed PK parameters are not applicable for this analytical standard. The compound is stable under recommended storage conditions.
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| Toxicity/Toxicokinetics |
6-Benzylaminopurine-d5 is intended for research use only and is not approved for human therapeutic applications. As a deuterium-labeled compound, it is expected to have similar toxicity to the unlabeled compound. Appropriate safety precautions should be taken when handling. Standard toxicity assessments would include acute toxicity, genotoxicity, and repeated-dose toxicity studies if required for specific applications. The compound is not intended for human consumption.
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| References | |
| Additional Infomation |
6-Benzylaminopurine-d5 (CAS 2322358-20-1) is a deuterium-labeled form of 6-benzylaminopurine (benzyladenine, 6-BAP), a cytokinin plant growth regulator. It has a molecular weight of 230.28 g/mol and formula C12H6D5N5. The compound is used as a tracer and internal standard in mass spectrometry and biochemical research. It is also known as Benzyladenine-d5, 6-BAP-d5, and N6-Benzyladenine-d5. The compound is not approved for clinical use.
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| Molecular Formula |
C12H11N5
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| Molecular Weight |
225.249241113663
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| Exact Mass |
230.132
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| CAS # |
2322358-20-1
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| Related CAS # |
6-Benzylaminopurine;1214-39-7
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| PubChem CID |
163322560
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
2.1
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
17
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| Complexity |
241
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])CNC2=NC=NC3=C2NC=N3)[2H])[2H]
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| InChi Key |
NWBJYWHLCVSVIJ-RALIUCGRSA-N
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| 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)/i1D,2D,3D,4D,5D
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| Chemical Name |
N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]-7H-purin-6-amine
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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) |
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 | 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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