Physicochemical Properties
| Molecular Formula | C12H11NO5 |
| Molecular Weight | 249.22 |
| Exact Mass | 249.064 |
| CAS # | 73912-52-4 |
| PubChem CID | 773544 |
| Appearance | White to off-white solid powder |
| Density | 1.42g/cm3 |
| Boiling Point | 561.3ºC at 760 mmHg |
| Flash Point | 293.2ºC |
| Index of Refraction | 1.639 |
| LogP | 1.67 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 18 |
| Complexity | 368 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | NVOBVSWSDYFEMR-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C12H11NO5/c1-6(2)10(14)13-9-4-7(11(15)16)3-8(5-9)12(17)18/h3-5H,1H2,2H3,(H,13,14)(H,15,16)(H,17,18) |
| Chemical Name | 5-(2-methylprop-2-enoylamino)benzene-1,3-dicarboxylic acid |
| Synonyms | MS 0015203; MS-0015203; MS0015203 |
| 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 rat hypothalamus membranes, MS15203 (MS0015203) decreases adenylyl cyclase activity and dose-dependently enhances [[35]S]GTPγS binding [1]. |
| ln Vivo | GPR171-containing cells in the PVN exhibit enhanced neuronal activity in response to MS15203 (MS0015203) (3 mg/kg; i.p.) [1]. ..At 4 and 8 hours, MS15203 (3 mg/kg; i.p.) dramatically improves meal intake [1]. The intraperitoneal injection of MS15203 (3 mg/kg) dramatically raises the quantity of mRNA encoding proSAAS, NPY, and AgRP [1]. |
| References |
[1]. Identification of a small-molecule ligand that activates the neuropeptide receptor GPR171 and increases food intake. Sci Signal. 2016 May 31;9(430):ra55. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~200.63 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.03 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 (10.03 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 | 4.0125 mL | 20.0626 mL | 40.1252 mL | |
| 5 mM | 0.8025 mL | 4.0125 mL | 8.0250 mL | |
| 10 mM | 0.4013 mL | 2.0063 mL | 4.0125 mL |