N,N-Dicyclohexyl-5-cyclopropyl-3-isoxazolecarboxamide Property

Boiling point:

503.1±38.0 °C(Predicted)

Density 

1.14±0.1 g/cm3(Predicted)

storage temp. 

2-8°C

solubility 

DMSO: soluble5mg/mL, clear (warmed)

form 

powder

pka

-2.57±0.20(Predicted)

color 

white to beige

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.

Safety

Hazard Codes 

Xn

Risk Statements 

22

WGK Germany 

3

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

N,N-Dicyclohexyl-5-cyclopropyl-3-isoxazolecarboxamide Chemical Properties,Usage,Production

Description

The sphingosine 1-phosphate (S1P) receptor S1P₃ has roles in vasodilation, epithelial barrier function, cardioprotection, fibrosis, immunity, and inflammation. CYM 5541 is a selective, allosteric agonist of S1P₃ (EC₅₀ = 72-132 nM). It less effectively activates S1P₁ (EC₅₀ = 28-38 μM) and is ineffective at S1P₂, S1P₄, and S1P₅ as well as a panel of other receptors, ion channels and transporters.

Uses

CYM 5541, is a selective allosteric agonist of SAR and S1P3 receptors.

Biochem/physiol Actions

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.

storage

Store at +4°C

References

1) Guerrero?et al.?(2011),?Probe Development Efforts for an Allosteric Agonist of Sphingosine 1-phosphate Receptor 3 (S1P3); Probe Reports from the NIH Molecular Libraries Program 2) Jo?et al.?(2012),?Novel Selective Allosteric and Bitopic Ligands for the S1P3 Receptor; ACS Chem. Biol.?7?1975