Description
Fingolimod, a derivative of the fungal metabolite myriocin, is an antagonist of S1P (IC50 of 0.033 nM) which is an extracellular lipid mediator. Fingolimod has been used as an immunomodulating drug to treat multiple sclerosis (MS).
Synonyms
FTY 720; FTY-720; FTY720; 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol
Molecular Formula
C19H33NO2
Canonical SMILES
CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N
InChI
InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
InChIKey
KKGQTZUTZRNORY-UHFFFAOYSA-N
Boiling Point
479.5°C at 760 mmHg
Appearance
White to Off-white Solid
Storage
Store in a cool and dry place and at 0 - 4°C for short term (days to weeks) or -35°C for long term (months to years).