945128-26-7
945128-26-7 structure
- Name: CYM 5541
- Chemical Name: N,N-Dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide
- CAS Number: 945128-26-7
- Molecular Formula: C19H28N2O2
- Molecular Weight: 316.438
- Catalog: Signaling Pathways GPCR/G Protein LPL Receptor
- Create Date: 2016-11-07 19:32:06
- Modify Date: 2024-01-02 19:21:03
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CYM-5541 (ML249) is an selective and allosteric S1P3 receptor agonist with an EC50 between 72 and 132 nM.
| Name | N,N-Dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide |
|---|---|
| Synonyms |
3-Isoxazolecarboxamide, N,N-dicyclohexyl-5-cyclopropyl-
N,N-Dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide CYM 5541 CYM-5541 CYM5541 |
| Description | CYM-5541 (ML249) is an selective and allosteric S1P3 receptor agonist with an EC50 between 72 and 132 nM. |
|---|---|
| Related Catalog | |
| Target |
EC50: between 72 and 132 nM (S1P3)[1] |
| In Vitro | CYM-5541 is a full agonist, able to reach the maximum level of ERK phosphorylation that is observed with S1P. CYM-5541 has an EC50 of between 72 and 132 nM and exhibits exquisite selectivity over other S1P receptor subtypes: S1P1 EC50>10 μM, S1P2 EC50>50 μM, S1P4 EC50>50 μM, and S1P5 EC50>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[1]. |
| Kinase Assay | Jump-In TI CHO-K cells stably expressing WT or mutant S1P3 are serum-starved for 4 hrs. They are then incubated at 4 °C for 30 min in the binding buffer containing 20 mM Tris-HCl (pH 7.5), 100 mM NaCl, 15 mM NaF, 0.5 mM EDTA, 1 mM Na3VO4, 0.5% fatty acid-free bovine serum albumin, and protease inhibitor mixture with 0.1 nM [33P]S1P and increasing concentrations of S1P, SPM-242, or CYM-5541. Cells are washed three times with cold binding buffer. Cell-bound radioactivity is measured by lysing the cells with 0.5% SDS followed by liquid scintillation counting. The raw data is normalized so that the level of [33P]S1P bound to each cell line (WT or mutant) in the absence of competing ligand is referenced as 100% for its own cell line[1]. |
| References |
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 503.1±38.0 °C at 760 mmHg |
| Molecular Formula | C19H28N2O2 |
| Molecular Weight | 316.438 |
| Flash Point | 258.1±26.8 °C |
| Exact Mass | 316.215088 |
| PSA | 46.34000 |
| LogP | 3.47 |
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
| Index of Refraction | 1.559 |
| Storage condition | 2-8℃ |
