567734

S1P₁ Receptor Agonist III

The S1P1 Receptor Agonist III controls the biological activity of S1P1 Receptor. This small molecule/inhibitor is primarily used for Biochemicals applications.

• Synonym(s): S1P₁ Receptor Agonist III, 4-Methoxy-N-(2-(trifluoromethyl)biphenyl-4-ylcarbamoyl)nicotinamide, Sphingosine-1-Phosphate₁ Receptor Agonist III
• Empirical Formula (Hill Notation): C₂₁H₁₆F₃N₃O₃
• CAS Number: 1324003-64-6
• Molecular Weight: 415.37
• MDL number: MFCD27991276
• UNSPSC Code: 12352200

Properties

• Quality Level: 100
• Assay: ≥97% (HPLC)
• form: solid
• manufacturer/tradename: Calbiochem^®
• storage condition: OK to freeze; protect from light
• color: white
• solubility: DMSO: 50 mg/mL
• shipped in: ambient
• storage temp.: 2-8°C
• SMILES string: O=C(NC(C1=CN=CC=C1OC)=O)NC(C=C2)=CC(C(F)(F)F)=C2C3=CC=CC=C3

Description

General description

An orally bioavailable polar head group lacking carbamoylnicotinamide compound that acts as a potent and reversible agonist of hS1P₁ receptor (EC₅₀ = 35 nM with 96% efficacy) with substantial to excellent selectivity over hS1P₅ (EC₅₀ = 4.3 µM with 58% efficacy) and hS1P_2-4 (EC₅₀ >25 µM). Minimally affects the activities of hERG (IC₅₀ >10 µM) and cytochrome p450 isozymes (IC₅₀ >30 µM for 3A4 and 2D6), and exhibits desirable microsomal stability and aqueous solubility, Shown to efficiently reduce the circulating lymphocyte levels in rats (1 mg/kg, p.o.).

Packaging

Packaged under inert gas

Warning

Toxicity: Standard Handling (A)

Other Notes

Pennington, L.D., et al. 2011. Bioorg. Med. Chem. Lett.22, 527.

Legal Information

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 2
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable