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| Targets |
The primary targets of AB-MECA are the adenosine receptors, specifically the A3 and A1 subtypes. It acts as a high-affinity agonist at the A3 receptor, with a binding Ki of 430.5 nM. It also has high affinity for recombinant A1 receptors. Adenosine receptors are G protein-coupled receptors that mediate the effects of adenosine, a nucleoside involved in various physiological processes, including inflammation, cardiovascular function, and neurotransmission.
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| ln Vitro |
The human lung cancer cell line A549 demonstrates the expected cytotoxicity when exposed to AB-MECA (1, 10, 100 μM; 24 hours) [2]. In transfected CHO cells and RBL-2H3 cells, the KD values of [125I]AB-MECA binding to A3 uptake were 1.48 and 3.61 nM, respectively [3].
In vitro, AB-MECA is a high-affinity A3 adenosine receptor agonist. Its binding affinity for the A3 receptor is characterized by a Ki of 430.5 nM in CHO cells expressing the human A3 receptor. It also shows high affinity for recombinant A1 receptors. The compound's activity is assessed in radioligand binding assays, where it competes with a labeled adenosine receptor ligand for binding to the receptor. |
| ln Vivo |
Histamine levels can be raised intravenously by AB-MECA (3 ug/kg) [4]. Albino guinea pigs (body weight 180–220 g) respond better to medium induction when administered intravenously with AB-MECA (0.3 mg/kg).
In vivo, AB-MECA has been shown to enhance plasma histamine levels. As an A3 adenosine receptor agonist, it can modulate the activity of mast cells and other immune cells, leading to histamine release. This effect is relevant for studying the role of A3 receptors in allergic and inflammatory responses. The compound's in vivo effects are dose-dependent and related to its activation of A3 receptors. |
| Enzyme Assay |
In vitro receptor binding studies for AB-MECA measure its affinity for adenosine receptors. Radioligand competition assays are performed using membrane preparations from cells expressing human A1, A2A, A2B, or A3 receptors. The compound competes with a labeled adenosine receptor ligand, such as [³H]NECA or [¹²⁵I]AB-MECA, for binding, and the Ki values are determined.
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| Cell Assay |
Cytotoxicity assay[2]
Cell Types: A549 Cell Tested Concentrations: 1, 10, 100 μM Incubation Duration: 24 hrs (hours) Experimental Results: demonstrated dose-dependent cytotoxicity. In vitro cell-based assays for AB-MECA evaluate its functional activity at adenosine receptors. Cells expressing A3 receptors are treated with the compound, and receptor activation is measured by downstream signaling, such as inhibition of cAMP accumulation or mobilization of intracellular calcium. The compound's potency and efficacy as an agonist are determined from dose-response curves. |
| Animal Protocol |
Animal/Disease Models: Male balb/c (Bagg ALBino) mouse, weight 18-25 g[4]
Doses: 3 ug/kg given Medication: IV; systolic contraction [5]. Single dose Experimental Results: Caused a 5.9-fold increase in histamine levels in mouse plasma. In vivo animal studies for AB-MECA are conducted to evaluate its pharmacological effects. The compound is administered via intravenous or intraperitoneal routes. Its effects on histamine release, inflammation, and cardiovascular function are assessed. Pharmacodynamic studies measure receptor occupancy and downstream signaling. Pharmacokinetic studies determine the compound's half-life and bioavailability. |
| ADME/Pharmacokinetics |
The pharmacokinetic properties of AB-MECA have been characterized in preclinical studies. Its molecular weight is 399.40 g/mol. The compound has a density of 1.687 g/cm³ and a refractive index of 1.789. For research use, it is typically stored as a powder at -20°C. Further details on its half-life, Cmax, and bioavailability are available from the primary research literature.
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| Toxicity/Toxicokinetics |
The toxicity profile of AB-MECA has not been extensively detailed in the available literature. It is classified for research use only and not for human consumption. As an adenosine receptor agonist, its potential side effects may include cardiovascular and immune modulation. Standard safety precautions for handling bioactive compounds should be followed.
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| References |
[1]. L Yates, et al. Radioligand binding and functional responses of ligands for human recombinant adenosine A(3) receptors. Auton Autacoid Pharmacol. 2006 Apr;26(2):191-200.
[2]. Solanki, N. D., et al. In Vitro Evaluation Of Anti-Cancer Potential Of A3 Adenosine Receptor Agonist On A549 Human Lung Cancer Cell Line. Int J Pharm Pharm Sci ; 2019 Jun; 11(6): 106-108. [3]. X D Ji, et al. A selective agonist affinity label for A3 adenosine receptors. Biochem Biophys Res Commun. 1994 Aug 30;203(1):570-6. [4]. Endre G Mikus, et al. Interaction of SSR161421, a novel specific adenosine A(3) receptor antagonist with adenosine A(3) receptor agonists both in vitro and in vivo. Eur J Pharmacol. 2013 Jan 15;699(1-3):62-6. [5]. Endre G Mikus, et al. Evaluation of SSR161421, a novel orally active adenosine A3 receptor antagonist on pharmacology models. Eur J Pharmacol. 2013 Jan 15;699(1-3):172-9. |
| Additional Infomation |
Additional information: AB-MECA is also known as N6-(4-Aminobenzyl)-5'-N-methylcarboxamidoadenosine. It is a high-affinity A3 adenosine receptor agonist with a binding Ki of 430.5 nM. The compound is used as a research tool to study adenosine receptor signaling and its role in various physiological and pathological processes. This product is for research use only and is not approved for clinical or therapeutic applications.
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| Molecular Formula |
C19H23N7O5
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|---|---|
| Molecular Weight |
429.437
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| Exact Mass |
399.166
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| CAS # |
152918-26-8
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| PubChem CID |
5310992
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.68g/cm3
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| Index of Refraction |
1.789
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| LogP |
0.88
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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 |
29
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| Complexity |
576
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| Defined Atom Stereocenter Count |
4
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| SMILES |
O[C@H]1[C@H](N2C=NC3=C(NCC4=CC=C(N)C=C4)N=CN=C23)O[C@H](C(NC)=O)[C@H]1O
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| InChi Key |
LDYMCRRFCMRFKB-MOROJQBDSA-N
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| InChi Code |
InChI=1S/C18H21N7O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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| Chemical Name |
N6-(4-Aminobenzyl)-N-methylcarboxamidoadenosine
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| Synonyms |
AB MECA AB-MECAABMECA
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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 : ~55 mg/mL (~137.71 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.75 mg/mL (6.89 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 27.5 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: ≥ 2.75 mg/mL (6.89 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 27.5 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: ≥ 2.75 mg/mL (6.89 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 | 2.3286 mL | 11.6431 mL | 23.2861 mL | |
| 5 mM | 0.4657 mL | 2.3286 mL | 4.6572 mL | |
| 10 mM | 0.2329 mL | 1.1643 mL | 2.3286 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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