Siponimod (BAF-312) | B3037

Siponimod is an orally bioavailable agonist of the sphingosine-1-phosphate (S1P) receptor that is selective for S1P1 and S1P5 with EC₅₀ values of 0.39 and 0.98 nM respectively, in a GTPγS-binding assay. Siponimod (0.3 or 3 mg/kg/day mg/kg/day) reduces experimental autoimmune encephalomyelitis (EAE) symptoms in rats. It significantly attenuates demyelination in organotypic cerebellar slice cultures. It is used for the treatment of relapsing forms of multiple sclerosis.

Siponimod is an orally bioavailable agonist of the sphingosine-1-phosphate (S1P) receptor that is selective for S1P1 and S1P5 with EC₅₀ values of 0.39 and 0.98 nM respectively, in a GTPγS-binding assay. Siponimod (0.3 or 3 mg/kg/day mg/kg/day) reduces experimental autoimmune encephalomyelitis (EAE) symptoms in rats. It significantly attenuates demyelination in organotypic cerebellar slice cultures. It is used for the treatment of relapsing forms of multiple sclerosis.

B3037 | Siponimod (BAF-312) DataSheet

Alternate Name/Synonyms: 1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidine-3-carboxylic acid; 3-Azetidinecarboxylic acid, 1-((4-((1E)-1-(((4-cyclohexyl-3-(trifluoromethyl)phenyl)methoxy)imino)ethyl)-2-ethylphenyl)methyl); 1-{4-[1-((E)-4-cyclohexyl-3-trifluoromethyl-benzyloxyimino)-ethyl]-2-ethyl-benzyl}-azetidine-3-carboxylic acid

Appearance: White to off-white solid powder

Formulation:

CAS Number: 1230487-00-9

Structure Available?: TRUE

Peptide sequence:

Salt Form: FALSE

Molecular Formula: C₂₉H₃₅F₃N₂O₃

Molecular Weight: 516.6

Cell-Permeable?: TRUE

Purity: ≥98%

Solubilities: ~16 mg/ml in DMF, ~3 mg/ml in ethanol, ~20 mg/ml in DMSO

Handling: Do not take internally. Wear gloves and mask when handling the product! Avoid contact by all modes of exposure.

Country of Origin: USA

Tag Line: An agonist of the S1P1 and SIP5 receptors

MDL Number: MFCD26142651

PubChem CID: 44599207

SMILES: CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)C)CN4CC(C4)C(=O)O

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: KIHYPELVXPAIDH-HNSNBQBZSA-N