Molecular Formula | C19H28N2O2 |
Molar Mass | 316.44 |
Density | 1.14±0.1 g/cm3(Predicted) |
Boling Point | 503.1±38.0 °C(Predicted) |
Solubility | DMSO: soluble5mg/mL, clear (warmed) |
Appearance | powder |
Color | white to beige |
pKa | -2.57±0.20(Predicted) |
Storage Condition | 2-8°C |
Stability | Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 1 month. |
In vitro study | CYM-5541 is a full agonist, able to reach the maximum level of ERK phosphorylation that is observed with S1P. CYM-5541 has an EC 50 of between 72 and 132 nM and exhibits exquisite selectivity over other S1P receptor subtypes: S1P1 EC 50 >10 μM, S1P2 EC 50 >50 μM, S1P4 EC 50 >50 μM, and S1P5 EC 50 >25 μM. CYM-5541 also shows selectivity over a large panel of protein targets, with no significant activities, in the Ricerca profiling panel of 55 GPCRs, ion channels, and transporters. CYM-5541 allowed us to identify an allosteric site where F263 is a key gate-keeper residue for its affinity and efficacy. The novel allosteric hydrophobic pocket may account for the S1P3 selectivity of CYM-5541. |
Hazard Symbols | Xn - Harmful |
Risk Codes | 22 - Harmful if swallowed |
WGK Germany | 3 |
1mg | 5mg | 10mg | |
---|---|---|---|
1 mM | 3.16 ml | 15.801 ml | 31.602 ml |
5 mM | 0.632 ml | 3.16 ml | 6.32 ml |
10 mM | 0.316 ml | 1.58 ml | 3.16 ml |
5 mM | 0.063 ml | 0.316 ml | 0.632 ml |
biological activity | CYM5541 (ML249) is a selective S1P3 allosteric receptor agonist with an EC50 of 72-132 nM. |
Target | Value |