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Merck
CN

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

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About This Item

Empirical Formula (Hill Notation):
C29H35F3N2O3
CAS Number:
Molecular Weight:
516.60
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
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Quality Segment

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

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.


Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable



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