Description
Key facts
CAS number:854107-55-4,
Form:SolidSee storage information,
Molecular weight:461 Da,
Molecular formula:C23H25ClN2O4S,
PubChem:11363176,
Nature:Synthetic,
Solubility:Soluble in DMSO to 10 mM.,
Biochemical name:Ponesimod,
Biological description:Ponesimod is a potent agonist of sphingosine-1-phophate receptor. (S1P1/EDG-1; IC50s = 6, >10,000, 2,068, 1,956, and 142 nM for S1P1-S1P5, respectively, in a radioligand binding assay). Selectively activates S1P1 in a GTPγS assay (EC50s = 5.7, >10,000, 105, 1,108, and 59.1 nM, for S1P1-S1P5, respectively).,
Canonical smiles:CCCN=C1N(C(=O)C(=CC2=CC(=C(C=C2)OCC(CO)O)Cl)S1)C3=CC=CC=C3C,
Isomeric smiles:CCCN=C1N(C(=O)/C(=C/C2=CC(=C(C=C2)OC[C@@H](CO)O)Cl)/S1)C3=CC=CC=C3C,
InChi:InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23?/t17-/m1/s1,
InChiKey:LPAUOXUZGSBGDU-ULCCENQXSA-N,
IUPAC Name:(5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
Properties and Storage Information:
Shipped at conditions-Blue Ice, Appropriate short-term storage conditions--20°C, Appropriate long-term storage conditions--20°C
