Physicochemical Properties
| Molecular Formula | C32H33N3O7S |
| Molecular Weight | 603.69 |
| Exact Mass | 603.203 |
| CAS # | 915191-42-3 |
| PubChem CID | 15948325 |
| Appearance | Pink to yellow solid powder |
| Density | 1.3±0.1 g/cm3 |
| Index of Refraction | 1.630 |
| LogP | 4.64 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 43 |
| Complexity | 1070 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | WVLIUERFVJYBNY-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C32H33N3O7S/c1-5-41-30-23-11-9-15-33-29(23)31(42-6-2)24-18-35(32(37)28(24)30)25-14-13-21(16-20(25)3)19-43(38,39)34-27(36)17-22-10-7-8-12-26(22)40-4/h7-16H,5-6,17-19H2,1-4H3,(H,34,36) |
| Chemical Name | N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide |
| Synonyms | MF-498; MF 498; MF498 |
| 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
| ln Vitro | In the presence or absence of 10% serum, MF498 (0.01 nM–10 μM, 30 minutes) suppresses PGE2-stimulated cAMP buildup with IC50 values of 1.7 and 17 nM, respectively [1]. In VSMC, MF498 0.01 and 0.1 μM, 30 minutes) suppresses the proliferation of VSMC produced by FBS and PDGF-BB [2]. In VSMC, MF498 (0.1 μM, 30 minutes) suppresses the expression of PCNA and cyclin D1 produced by PDGF [2]. The PDGF-BB-induced migration is inhibited by MF498 (0.1 μM, 30 min) [2]. |
| ln Vivo | The Wall Street compound MF498 (0–20 mg/kg) reduces foot swelling in adjuvant-induced arthritis (AIA) [1]. In guinea pigs (L-902688), MF498 (0-30 mg/kg, Wall Street) attenuates EP4 vessels. At a dosage of 1.2 μM, six hours after the laboratory, MF498 (20 mg/kg, buccal) exhibits 100% bioavailability [1]. |
| Cell Assay |
Cell viability assay [2] Cell Types: Rat VSMC Tested Concentrations: 0.01 nM-10 μM Incubation Duration: 30 minutes before FBS treatment. Experimental Results: Inhibited VSMC proliferation induced by FBS and PDGF-BB. |
| Animal Protocol |
Animal/Disease Models: Adjuvant-Induced Arthritis (AIA) in Rats[1] Doses: 0, 0.008, 0.04, 0.2, 2, 20 mg/kg Route of Administration: Oral (po) Experimental Results: In primary and secondary paws All demonstrated anti-inflammatory effects. |
| References |
[1]. MF498 [N-{[4-(5,9-Diethoxy-6-oxo-6,8-dihydro-7H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylbenzyl]sulfonyl}-2-(2-methoxyphenyl)acetamide] a selective E prostanoid receptor 4 antagonist, relieves joint inflammation and pain in rodent models of rheumatoid and osteoarthritis. J Pharmacol Exp Ther. 2008 May;325(2):425-434. [2]. The Prostaglandin E2 Receptor EP4 Promotes Vascular Neointimal Hyperplasia through Translational Control of Tenascin C via the cAPM/PKA/mTORC1/rpS6 Pathway. Cells. 2022 Aug 31;11(17):2720. |
Solubility Data
| Solubility (In Vitro) | DMSO : ≥ 31 mg/mL (~51.35 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.14 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 (4.14 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (4.14 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 25.0 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 | 1.6565 mL | 8.2824 mL | 16.5648 mL | |
| 5 mM | 0.3313 mL | 1.6565 mL | 3.3130 mL | |
| 10 mM | 0.1656 mL | 0.8282 mL | 1.6565 mL |