CYM-5541
| 中文名称 | CYM-5541 |
|---|---|
| 中文同义词 | 化合物CYM 5541;CYM5541游离态;N,N-二环己基-5-环丙基异恶唑-3-甲酰胺;优选]CYM 5541;CYM 5541,S1P3受体变构激动剂;化合物CYM 5541,10 MM DMSO 溶液;抑制剂CYM 5541;抑制剂CYM 5541 |
| 英文名称 | N,N-Dicyclohexyl-5-cyclopropyl-3-isoxazolecarboxamide |
| 英文同义词 | CYM5541;CYM-5541;ML249;N,N-Dicyclohexyl(5-cyclopropylisoxazol-3-yl)-carboxamide;N,N-Dicyclohexyl-5-cyclopropyl-3-isoxazolecarboxamide;CYM 5541(ML-249);CYM-5541;CYM 5541;ML-249;ML 249;ML249;N,N-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide |
| CAS号 | 945128-26-7 |
| 分子式 | C19H28N2O2 |
| 分子量 | 316.44 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 945128-26-7.mol |
| 结构式 |  |
CYM-5541 性质
| 沸点 | 503.1±38.0 °C(Predicted) |
|---|---|
| 密度 | 1.14±0.1 g/cm3(Predicted) |
| 储存条件 | 2-8°C |
| 溶解度 | DMSO：可溶5mg/mL，澄清（加热） |
| 形态 | 粉末 |
| 酸度系数(pKa) | -2.57±0.20(Predicted) |
| 颜色 | 白色至米色 |
| 稳定性 | 可在-20°下的DMSO或乙醇溶液保存长达1个月。 |
| InChI | 1S/C19H28N2O2/c22-19(17-13-18(23-20-17)14-11-12-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h13-16H,1-12H2 |
| InChIKey | NDKGACIWVAOUQH-UHFFFAOYSA-N |
| SMILES | N(C4CCCCC4)(C3CCCCC3)C(=O)c1n[o]c(c1)C2CC2 |
| Target | Value |
|
S1P3
() |
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.
| 更新日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
|---|---|---|---|---|---|
| 2026/07/06 | S6552 | CYM-5541 CYM5541 | 945128-26-7 | 5mg | 794.43元 |
| 2026/07/06 | S6552 | CYM-5541 CYM5541 | 945128-26-7 | 25mg | 2275.13元 |