MRS1754 (MRS-1754; MRS 1754) is a novel, selective and potent A2B antagonist 2B antagonist with anticancer activity. It prevents bladder urothelial carcinoma cells from proliferating and migrating by adjusting the MAPK (mitogen-activated protein kinase) pathway,.
Physicochemical Properties
| Molecular Formula | C26H26N6O4 |
| Molecular Weight | 486.532 |
| Exact Mass | 486.202 |
| Elemental Analysis | C, 64.19; H, 5.39; N, 17.27; O, 13.15 |
| CAS # | 264622-58-4 |
| PubChem CID | 6603931 |
| Appearance | White to off-white solid powder |
| Density | 1.38g/cm3 |
| LogP | 3.335 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 36 |
| Complexity | 843 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
| InChi Key | AJBBEYXFRYFVNM-UHFFFAOYSA-N |
| 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) |
| Chemical Name | N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide |
| Synonyms | MRS1754; MRS-1754; MRS 1754 |
| HS Tariff Code | 2934.99.9001 |
| 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) |
Biological Activity
| Targets | A2 Adenosine Receptor |
| 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]. |
| References |
[1]. [3H]MRS 1754, a selective antagonist radioligand for A(2B) adenosine receptors. Biochem Pharmacol. 2001 Mar 15;61(6):657-63. |
| Additional Infomation | N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide is an oxopurine. |
Solubility Data
| Solubility (In Vitro) | DMSO: ~15 mg/mL (~30.8 mM) |
| 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. 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. 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 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 | 2.0554 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 |