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
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About This Item
Empirical Formula (Hill Notation):
C21H16F3N3O3
CAS Number:
Molecular Weight:
415.37
UNSPSC Code:
12352200
MDL number:
Assay:
≥97% (HPLC)
Form:
solid
Storage condition:
OK to freeze, protect from light
Quality Segment
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
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 hS1P2-4 (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
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
Disclaimer
Toxicity: Standard Handling (A)
Storage Class
11 - Combustible Solids
wgk
WGK 2
flash_point_f
Not applicable
flash_point_c
Not applicable
Certificates of Analysis (COA)
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