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| 5mg |
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| 10mg |
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| Targets |
4-Abza targets both adenosine receptors and ecto-5'-nucleotidase (CD73). It is a potent agonist of A1 adenosine receptors. It also acts as an adenosine receptor blocker/inhibitor that works on ecto-5'-nucleotidase with a Ki of 29 nM. CD73 is an enzyme that converts AMP to adenosine, regulating extracellular adenosine levels. By inhibiting CD73, 4-Abza modulates purinergic signaling.
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| ln Vitro |
In vitro, 4-Abza is a potent agonist of A1 adenosine receptors. It is also a potent and selective ecto-5'-nucleotidase (eN, CD73) inhibitor with a Ki of 29 nM for rat recombinant eN. Its activity has been characterized in receptor binding and enzyme assays. The compound's ability to activate A1 receptors and inhibit CD73 has been confirmed in biochemical and pharmacological studies.
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| ln Vivo |
In vivo, 4-Abza's effects are mediated through its dual actions as an A1 adenosine receptor agonist and a CD73 inhibitor. As an adenosine receptor agonist, it may modulate cardiovascular, neurological, and immune functions. As a CD73 inhibitor, it may affect adenosine production and purinergic signaling. However, specific in vivo efficacy data are limited in publicly available sources.
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| Enzyme Assay |
In non-cell-based receptor binding assays, 4-Abza's affinity for A1 adenosine receptors is evaluated using radioligand competition binding experiments. Membrane preparations from cells expressing recombinant human A1 receptors are incubated with a radiolabeled A1 receptor ligand and varying concentrations of 4-Abza. After incubation, bound and free radioligand are separated by filtration, and radioactivity is measured. Competition curves are generated to determine IC50 and Ki values. Its inhibition of CD73 is assessed using enzyme assays with purified CD73 and AMP as substrate.
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| Cell Assay |
In vitro cellular assays for 4-Abza involve measuring its effects on A1 adenosine receptor signaling and CD73 activity in cultured cells. Cells expressing A1 receptors are treated with 4-Abza, and receptor activation is assessed by measuring downstream signaling such as inhibition of cAMP accumulation. Its inhibition of CD73 is assessed by measuring the conversion of AMP to adenosine in cell culture supernatants. The compound's effects on purinergic signaling and cellular function are quantified.
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| Animal Protocol |
In vivo animal studies for 4-Abza have not been extensively reported, as the compound is primarily used in research applications. When studied, it may be administered to animals to assess its effects on adenosine signaling, cardiovascular function, and immune modulation. However, specific protocols and data are limited in publicly available sources.
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| ADME/Pharmacokinetics |
4-Abza has a molecular weight of 372.39 and a molecular formula of C17H20N6O4. It is an N6-substituted adenosine derivative. The compound is a potent agonist of A1 adenosine receptors and a potent and selective ecto-5'-nucleotidase inhibitor with a Ki of 29 nM. It is typically stored as a powder at -20°C for long-term stability.
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| Toxicity/Toxicokinetics |
As a research compound, 4-Abza is not intended for human use and should be handled with appropriate safety precautions. Comprehensive toxicology studies have not been extensively published, but the compound is generally considered safe for laboratory use. It should be stored and handled in accordance with standard laboratory safety guidelines.
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| Additional Infomation |
4-Abza (N-[(4-Aminophenyl)methyl]adenosine) is an N6-substituted adenosine derivative that is a potent agonist of A1 adenosine receptors. It is also a potent and selective ecto-5'-nucleotidase (eN, CD73) inhibitor with a Ki of 29 nM. The compound modulates purinergic signaling and is used in research applications. 4-Abza is not an approved drug and is intended for research use only.
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| Molecular Formula |
C17H20N6O4
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|---|---|
| Molecular Weight |
372.39
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| Exact Mass |
372.154
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| CAS # |
95523-13-0
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| PubChem CID |
125347
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.71g/cm3
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| Boiling Point |
749ºC at 760mmHg
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| Flash Point |
406.8ºC
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| Index of Refraction |
1.8
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| LogP |
0.4
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
27
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| Complexity |
494
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| Defined Atom Stereocenter Count |
4
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| SMILES |
O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2C(=NC=NC1=2)NCC1C=CC(N)=CC=1
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| InChi Key |
PMUVNAUPWLXPSA-LSCFUAHRSA-N
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| InChi Code |
InChI=1S/C17H20N6O4/c18-10-3-1-9(2-4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6,18H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
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| Chemical Name |
(2R,3R,4S,5R)-2-[6-[(4-Aminophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Synonyms |
4-Abza 4-ABzA 4ABzA4Abza 4 Abza N(6)-(4-aminobenzyl)adenosine4 ABzA
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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 : ~10 mg/mL (~26.85 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.71 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 (6.71 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 (6.71 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 | 2.6854 mL | 13.4268 mL | 26.8536 mL | |
| 5 mM | 0.5371 mL | 2.6854 mL | 5.3707 mL | |
| 10 mM | 0.2685 mL | 1.3427 mL | 2.6854 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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