SML0680

CYM-5541

≥98% (HPLC)

• Synonym(s): CYM5541, ML249, N,N-Dicyclohexyl(5-cyclopropylisoxazol-3-yl)-carboxamide, N,N-Dicyclohexyl-5-cyclopropyl-3-isoxazolecarboxamide
• Empirical Formula (Hill Notation): C₁₉H₂₈N₂O₂
• CAS Number: 945128-26-7
• Molecular Weight: 316.44
• UNSPSC Code: 12352211
• NACRES: NA.77
• Assay: ≥98% (HPLC)
• Form: powder

Properties

• Quality Segment: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 5 mg/mL, clear (warmed)
• storage temp.: 2-8°C
• SMILES string: N(C4CCCCC4)(C3CCCCC3)C(=O)c1n[o]c(c1)C2CC2
• 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
• InChI key: NDKGACIWVAOUQH-UHFFFAOYSA-N

Description

Biochem/physiol Actions

CYM-5541 is an allosteric agonist selective for the Sphingosine 1-phosphate (S1P) S1P3 receptor subtype.

CYM-5541 is an allosteric agonist selective for the Sphingosine 1-phosphate (S1P) S1P3 receptor subtype. CYM-5541 occupies a different chemical space in the ligand binding pocket of S1P3 than S1P does, a lower hydrophobic region around transmembrane helix TM6. CYM-5541 shows great selectivity and stability with an EC₅₀ of between 72 and 132 nM compared to S1P1 EC₅₀ > 10 μM, S1P2 EC₅₀ > 50 μM, S1P4 EC₅₀ > 50 μM, and S1P5 EC₅₀ > 25 μM and no significant activities for a panel of 55 GPCRs, ion channels, and transporters.

Features and Benefits

This compound is featured on the Lysophospholipid Receptors page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable