| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
A2 Adenosine Receptor
MRS1754 selectively targets the A2B adenosine receptor. The Ki value for displacement of [3H]MRS 1754 binding to human A2B receptors expressed in HEK-293 cell membranes is 1.45±0.21 nM. It has very low affinity for A1 and A3 receptors of both humans and rats. Selectivity data indicate Ki values of 403 nM for human A1, 503 nM for human A2A, and 570 nM for human A3 receptors. This high selectivity makes MRS1754 a valuable tool for studying the specific role of the A2B receptor in various physiological and pathological processes, including inflammation, cancer, and cardiovascular diseases. |
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| ln Vitro |
MRS 1754 is the most effective displacer of [3H]MRS 1754 binding. Relative to human A2B receptors expressed in HEK-293 cell membranes, the displacement of [3H]MRS 1754 binding has a Ki value of 1.45±0.21 nM[1].
In vitro, MRS1754 demonstrates high affinity binding to the human A2B adenosine receptor expressed in HEK-293 cell membranes, with a Ki value of 1.45±0.21 nM for displacement of [3H]MRS 1754 binding. It exhibits very low affinity for A1 and A3 receptors, confirming its selectivity for the A2B subtype. MRS1754 prevents bladder urothelial carcinoma cells from proliferating and migrating by modulating the MAPK (mitogen-activated protein kinase) pathway. The compound is also used as a radioligand in receptor binding assays to characterize A2B receptor pharmacology and to screen for other A2B receptor ligands. |
| ln Vivo |
In vivo studies of MRS1754 are limited, as the compound is primarily used as a research tool for in vitro receptor binding studies. Its anticancer activity has been demonstrated in vitro in bladder urothelial carcinoma cells. Further in vivo studies are needed to evaluate its efficacy in animal models of cancer and other diseases where A2B receptor antagonism may be therapeutic, such as inflammatory conditions and cardiovascular diseases. The compound's selectivity for A2B over other adenosine receptors suggests it could be a useful tool for studying the in vivo role of A2B receptors.
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| Enzyme Assay |
For in vitro receptor binding assays, MRS1754 is typically used as a radioligand. The assay is performed using HEK-293 cell membranes expressing human A2B receptors. [3H]MRS 1754 is used as the radioligand at a concentration near its Kd value. Non-specific binding is determined in the presence of a saturating concentration of a competing ligand such as an unlabeled A2B antagonist. The reaction mixture is incubated for a specified time at room temperature or 37°C, and bound radioligand is separated from free radioligand by filtration through glass fiber filters. The radioactivity retained on the filters is measured using a scintillation counter. Competition binding assays are performed by incubating [3H]MRS 1754 with increasing concentrations of unlabeled test compounds to determine Ki values.
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| Cell Assay |
For in vitro cell-based studies, bladder urothelial carcinoma cells are cultured in appropriate growth media. MRS1754 is dissolved in DMSO and diluted in cell culture medium to achieve the desired concentrations, with the final DMSO concentration kept below 0.1% to avoid solvent toxicity. Cells are treated with MRS1754 for a defined period, typically 24-72 hours. Cell proliferation is assessed using MTT, CellTiter-Glo, or similar assays. Cell migration is evaluated using wound healing assays or transwell migration assays. The effect of MRS1754 on the MAPK pathway is examined by Western blot analysis of phosphorylated ERK, JNK, and p38 MAPK proteins.
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| Animal Protocol |
In vivo animal studies with MRS1754 have not been extensively reported in the available literature. The compound is primarily used as a research tool for in vitro receptor binding studies. For potential in vivo applications, MRS1754 would need to be formulated in a suitable vehicle for administration. Based on its physicochemical properties, it may be formulated in DMSO, PEG, or other suitable solvents for injection or oral administration. Animal models that could be used include xenograft models for cancer, inflammatory disease models, and cardiovascular disease models where A2B receptor antagonism may have therapeutic potential. Further studies are needed to establish appropriate dosing regimens and routes of administration.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of MRS1754 have not been extensively characterized. The compound has a molecular weight of 486.52 g/mol. It is insoluble or only slightly soluble in DMSO (<1 mg/mL). For in vitro studies, the compound is typically dissolved in DMSO and diluted in assay buffer. Detailed PK parameters such as half-life, bioavailability, clearance, and volume of distribution have not been reported. The compound is stable as a powder at -20°C for up to 3 years and in solvent at -80°C for up to 1 year. Further pharmacokinetic studies are needed to evaluate its absorption, distribution, metabolism, and excretion properties.
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| Toxicity/Toxicokinetics |
Toxicological data for MRS1754 are limited, as the compound is a research chemical not intended for human therapeutic use. The compound is typically handled with standard laboratory safety precautions. No comprehensive toxicology studies, including acute and chronic toxicity, genotoxicity, or cardiotoxicity assessments, have been reported in the available literature. The compound's safety in animal models and potential for clinical development would require further toxicological evaluation. The compound is for research use only and is not for human consumption.
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| References | |
| Additional Infomation |
N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purine-8-yl)phenoxy]acetamide is an oxopurine.
MRS1754 is a selective A2B adenosine receptor antagonist and radioligand that is widely used as a research tool in pharmacology. Its high selectivity for A2B over A1, A2A, and A3 receptors makes it invaluable for studying the specific role of the A2B receptor in various physiological and pathological processes. The compound has been investigated for its anticancer activity, particularly in bladder urothelial carcinoma. It is not an FDA-approved drug and is not commercially available as a pharmaceutical product. MRS1754 is used in receptor binding studies to screen for other A2B receptor ligands and to characterize the pharmacological profile of the A2B receptor. |
| Molecular Formula |
C26H26N6O4
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|---|---|
| Molecular Weight |
486.532
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| Exact Mass |
486.202
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| Elemental Analysis |
C, 64.19; H, 5.39; N, 17.27; O, 13.15
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| CAS # |
264622-58-4
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| PubChem CID |
6603931
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| Appearance |
White to off-white solid powder
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| Density |
1.38g/cm3
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| LogP |
3.335
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
36
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| Complexity |
843
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1N(C(C2=C(N=C(C3C=CC(=CC=3)OCC(N([H])C3C=CC(C#N)=CC=3)=O)N2[H])N1CCC)=O)CCC
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| InChi Key |
AJBBEYXFRYFVNM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
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| Chemical Name |
N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
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| Synonyms |
MRS1754; MRS-1754; MRS 1754
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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: ~15 mg/mL (~30.8 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 1.5 mg/mL (3.08 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 15.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: 1.5 mg/mL (3.08 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 15.0 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: 1.5 mg/mL (3.08 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0554 mL | 10.2769 mL | 20.5537 mL | |
| 5 mM | 0.4111 mL | 2.0554 mL | 4.1107 mL | |
| 10 mM | 0.2055 mL | 1.0277 mL | 2.0554 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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