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Merck

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:
1324003-64-6
Molecular Weight:
415.37
UNSPSC Code:
12352200
MDL number:
MFCD27991276
Assay:
≥97% (HPLC)
Form:
solid
Quality level:
100
Storage condition:
OK to freeze, protect from light

Key Documents

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SMILES string

O=C(NC(C1=CN=CC=C1OC)=O)NC(C=C2)=CC(C(F)(F)F)=C2C3=CC=CC=C3

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

Quality Level

100

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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