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| Targets |
The primary target of MRS1191 is the adenosine A3 receptor. MRS1191 is a highly selective antagonist for the human A3 receptor versus the human A1 receptor. The compound specifically targets and blocks the A3 adenosine receptor subtype, preventing the binding of adenosine and inhibiting its downstream signaling pathways. The A3 adenosine receptor is a G protein-coupled receptor that mediates various physiological effects including modulation of inflammation, cardiac function, and neuroprotection. By selectively antagonizing the A3 receptor, MRS1191 can be used to study the role of this receptor in various conditions. The compound has been evaluated in binding studies using the agonist radioligand [¹²⁵I]AB-MECA at cloned human brain A3 receptors expressed in HEK-293 cells.
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| ln Vitro |
Based on receptor binding and functional experiments, the effects of MRS-1191 as a potential A3 adenosine receptor antagonist were evaluated. Cloning human brain A3 receptors with the agonist radioligand [125I]AB-MECA (N6-(4-amino-3-iodobenzyl)adenosyl-5'-N-methylurea) has been found to be a useful application of MRS-1191. expressed in saturation binding experiments in HEK-293 cells in a competitive manner. Functional experiments that involved agonist-induced inhibition of adenylyl cyclase and activation of [35S]guanosine 5'-O-(3-thiotriphosphate) ([35S]GTP-gamma-S) in combination with the corresponding G- showed that antagonism existed. protein. MRS-1191 was found to be extremely selective for adenylate cyclase mediated by the human A3 receptor over the human A1 receptor, with a KB value of 92 nM [1].
In vitro, MRS1191 demonstrates selective A3 adenosine receptor antagonist activity. The compound is highly selective for the human A3 receptor versus the human A1 receptor. MRS1191 and related compounds were found to be competitive in saturation binding studies using the agonist radioligand [¹²⁵I]AB-MECA at cloned human brain A3 receptors expressed in HEK-293 cells. The compound specifically targets and blocks the A3 adenosine receptor subtype, preventing the binding of adenosine and inhibiting its downstream signaling pathways. These in vitro studies demonstrate the compound's utility as a research tool for studying A3 adenosine receptor function. |
| ln Vivo |
In vivo, MRS1191 has been used to study the role of A3 adenosine receptors in various physiological and pathological processes. By selectively antagonizing the A3 receptor, the compound can modulate adenosine activity and potentially produce therapeutic effects in conditions where A3 receptor activation is involved. The A3 adenosine receptor has been implicated in inflammation, cancer, cardiovascular disease, and neurodegenerative disorders. MRS1191 is a valuable tool for investigating the role of A3 receptor signaling in these conditions. Further in vivo studies are needed to fully characterize its physiological and therapeutic effects.
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| Enzyme Assay |
In vitro enzyme/receptor binding studies for MRS1191 focus on its interaction with adenosine receptors. Binding affinity to A1, A2A, A2B, and A3 adenosine receptors can be assessed using radioligand competition assays with appropriate radioligands (e.g., [¹²⁵I]AB-MECA for A3, [³H]DPCPX for A1). MRS1191 is highly selective for the human A3 receptor versus the human A1 receptor. The compound has been found to be competitive in saturation binding studies. IC₅₀ or Ki values for receptor binding are determined from competition curves. These methods are for research purposes only.
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| Cell Assay |
In vitro cell-based assays for MRS1191 evaluate its effects on A3 adenosine receptor-mediated signaling. Cells expressing the A3 adenosine receptor (e.g., HEK-293 cells transfected with human A3 receptor) are treated with MRS1191 at various concentrations (typically 0.1 nM to 10 µM). A3 receptor-mediated signaling (e.g., cAMP accumulation, calcium mobilization, ERK phosphorylation) is measured following stimulation with adenosine or A3 receptor agonists. The compound's ability to antagonize A3 receptor-mediated responses is determined from dose-response curves. Cell viability is assessed using standard assays. Standard cell culture conditions are used with appropriate media and supplementation.
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| Animal Protocol |
In vivo animal studies for MRS1191 would typically involve models of inflammation, pain, cancer, or other conditions where A3 adenosine receptor signaling is implicated. Mice or rats are treated with MRS1191 via intraperitoneal, intravenous, or oral administration at various doses. Disease models (e.g., inflammatory pain, tumor xenografts, cardiac ischemia) are used to evaluate the effects of A3 receptor antagonism. Endpoints include inflammation markers, pain behavior, tumor growth, or cardiac function. Pharmacodynamic studies evaluate A3 receptor occupancy and downstream signaling. All procedures must comply with institutional animal care guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of MRS1191 are not fully characterized in publicly available literature. The compound has a molecular weight of 477.55 g/mol. The compound's half-life, Cmax, AUC, and clearance would need to be determined in preclinical pharmacokinetic studies. The compound is for research use only and is not approved for clinical use. Further studies are needed to fully characterize its pharmacokinetic properties.
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| Toxicity/Toxicokinetics |
The toxicity profile of MRS1191 is not fully characterized in publicly available literature. The compound is classified for research use only and not for human consumption. Standard safety precautions for handling chemical compounds apply, including the use of personal protective equipment and working in a chemical fume hood. Preclinical toxicology studies would be required for clinical development. The compound should be handled with care due to its biological activity.
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| References |
[1]. Jacobson KA, et al. Pharmacological characterization of novel A3 adenosine receptor-selective antagonists. Neuropharmacology. 1997 Sep;36(9):1157-65.
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| Additional Infomation |
Furcelleran is a cinnamic acid ester.
See also: Furcelleran (note moved to). Additional information: MRS1191 has the CAS number 185222-90-6 and the molecular formula C₃₁H₂₇NO₄. The compound is also known as MRS 1191. It is a highly selective antagonist of the adenosine A3 receptor, selective for the human A3 receptor versus the human A1 receptor. MRS1191 specifically targets and blocks the A3 adenosine receptor subtype, preventing the binding of adenosine and inhibiting its downstream signaling pathways. The compound was found to be competitive in saturation binding studies using the agonist radioligand [¹²⁵I]AB-MECA at cloned human brain A3 receptors expressed in HEK-293 cells. This product is for research use only and is not approved for clinical or therapeutic applications. |
| Molecular Formula |
C31H27NO4
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| Molecular Weight |
477.55038
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| Exact Mass |
477.194
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| CAS # |
185222-90-6
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| PubChem CID |
393594
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
643.1±55.0 °C at 760 mmHg
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| Melting Point |
155 - 156 ℃
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| Flash Point |
342.7±31.5 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.639
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| LogP |
7.16
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
36
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| Complexity |
915
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCOC(=O)C1=C(C)NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4
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| InChi Key |
SNVFDPHQAOXWJZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26,32H,3,21H2,1-2H3
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| Chemical Name |
5-O-benzyl 3-O-ethyl 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
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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 : ~250 mg/mL (~523.51 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.36 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0940 mL | 10.4701 mL | 20.9402 mL | |
| 5 mM | 0.4188 mL | 2.0940 mL | 4.1880 mL | |
| 10 mM | 0.2094 mL | 1.0470 mL | 2.0940 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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