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About This Item

Empirical Formula (Hill Notation):
C20H18Cl2N2O2
CAS Number:
1314212-39-9
Molecular Weight:
389.28
MDL number:
MFCD28386025
UNSPSC Code:
12352200
PubChem Substance ID:
53358422
NACRES:
NA.77
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Quality Level

100

Assay

≥98% (HPLC)

form

solid

manufacturer/tradename

Calbiochem®

storage condition

OK to freeze
protect from light

color

white

solubility

DMSO: 100 mg/mL, clear, colorless

shipped in

ambient

storage temp.

2-8°C

SMILES string

CC1=CC(=CC(=C1NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)C)CN

InChI

1S/C20H18Cl2N2O2/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9H,10,23H2,1-2H3,(H,24,25)

InChI key

QWJOPXDAQCDRRM-UHFFFAOYSA-N

General description

An arylcarboxamide that acts as a potent and selective sphingosine-1-phosphate receptor 4 (S1P4) antagonist (IC50 = 25 nM), among a panel of five S1P receptors. It is shown to inhibit other S1P isoforms only at much higher concentrations (IC50 = 6.4 µM, 3.9 µM, 5.5 µM, and 25 µM for S1P1, S1P2, S1P5, and S1P3 (95% inhibition), respectively).

Packaging

Packaged under inert gas

Preparation Note

Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 3 months at -20°C.

Other Notes

Guerrero, M., et al. 2011. Bioorg. Med. Chem. Lett.21, 3632.

Legal Information

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

Disclaimer

Toxicity: Regulatory Review (Z)

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Certificates of Analysis (COA)

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