CAS 1230487-00-9: Siponimod
Description:Siponimod is a synthetic compound primarily used in the treatment of multiple sclerosis, particularly for its ability to modulate the immune system. It functions as a sphingosine-1-phosphate receptor modulator, specifically targeting S1P receptors, which play a crucial role in lymphocyte trafficking and immune response. This mechanism helps to reduce the number of circulating lymphocytes, thereby mitigating inflammatory processes associated with multiple sclerosis. Siponimod is characterized by its relatively high oral bioavailability and a half-life that allows for once-daily dosing. The compound exhibits a favorable pharmacokinetic profile, with metabolism primarily occurring in the liver via cytochrome P450 enzymes. Its safety profile includes common side effects such as headache, hypertension, and elevated liver enzymes, necessitating monitoring during treatment. Overall, Siponimod represents a significant advancement in the therapeutic options available for managing multiple sclerosis, offering a targeted approach to disease modification.
Formula:C29H35F3N2O3
InChI:InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+
InChI key:InChIKey=KIHYPELVXPAIDH-HNSNBQBZSA-N
SMILES:O=C(O)C1CN(CC2=CC=C(C=C2CC)C(=NOCC3=CC=C(C(=C3)C(F)(F)F)C4CCCCC4)C)C1
- Synonyms:
- 3-Azetidinecarboxylic acid, 1-[[4-[(1E)-1-[[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-ethylphenyl]methyl]-
- 1-[[4-[(1E)-1-[[[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-ethylphenyl]methyl]-3-azetidinecarboxylic acid
- BAF 312
- Siponimod
- 1-(4-[1-[(E)-4-Cyclohexyl-3-trifluoromethyl-benzyloxyimino]-ethyl]-2-ethyl-benzyl)-azetidine-3-carboxylic acid