SML3830

BAF312

≥98% (HPLC)

• Synonym(s): (E)-1-(4-(1-(((4-cyclohexyl-3-(trifluoromethyl)benzyl)oxy)imino)ethyl)-2-ethylbenzyl)azetidine-3-carboxylic acid, 1-[[4-[(1E)-1-[[[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-ethylphenyl]methyl]-3-azetidinecarboxylic acid, 1-{4-[(1E)-(4-Cyclohexyl-3-trifluoromethyl-benzyloxyimino)-ethyl]-2-ethyl-benzyl}-azetidine-3-carboxylic acid, BAF 312, BAF-312, Siponimod
• Empirical Formula (Hill Notation): C₂₉H₃₅F₃N₂O₃
• CAS Number: 1230487-00-9
• Molecular Weight: 516.60
• UNSPSC Code: 12352200
• NACRES: NA.77
• MDL number: MFCD26142651
• Assay: ≥98% (HPLC)
• Form: powder

Properties

• Quality Segment: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: -10 to -25°C
• SMILES string: FC(F)(F)c1c(ccc(c1)CONC(=C)c3cc(c(cc3)CN4CC(C4)C(=O)O)CC)C2CCCCC2
• 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/h9-14,22,25,33H,2-8,15-18H2,1H3,(H,35,36)
• InChI key: VVEHSNDBXFCTMJ-UHFFFAOYSA-N

Description

Biochem/physiol Actions

BAF312 (Siponimod) is an orally active, potent and subtype-selective sphingosine-1-phosphate (S1P) receptor agonist (GTPγ binding EC50 = 0.39 nM/S1P1, 0.98 nM/S1P5, 750 nM/S1P4, >1 µM/S1P3, >10 µM/S1P2). BAF312 oral administration causes a dose-dependent decrease in peripheral lymphocyte counts (by 88% 8h post 1 mg/kg, by 50% 6h post 0.14 mg/kg).

Orally active, potent and subtype-selective sphingosine-1-phosphate (S1P) receptor S1P1 & S1P5 agonist.

Safety Information

• Storage Class: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable