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Merck
CN
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安全信息

SML3830

Sigma-Aldrich

BAF312

≥98% (HPLC)

别名:

(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

经验公式（希尔记法）:
C29H35F3N2O3
CAS号:
1230487-00-9
分子量:
516.60
MDL编号:
MFCD26142651
UNSPSC代码:
12352200
NACRES:
NA.77

质量水平

100

方案

≥98% (HPLC)

表单

powder

颜色

white to beige

溶解性

DMSO: 2 mg/mL, clear

储存温度

-10 to -25°C

SMILES字符串

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

生化/生理作用

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).

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

法规信息

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分析证书(COA)

Lot/Batch Number
0000268693
0000268692
0000258759
0000258759
0000268693

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Discovery of BAF312 (Siponimod), a Potent and Selective S1P Receptor Modulator
ACS Medicinal Chemistry Letters, 4(3), 333-337 (2013)
Samuel J Jackson et al.
Journal of neuroinflammation, 8, 76-76 (2011-07-07)
Microglial activation in multiple sclerosis has been postulated to contribute to long-term neurodegeneration during disease. Fingolimod has been shown to impact on the relapsing remitting phase of disease by modulating autoreactive T-cell egress from lymph organs. In addition, it is
P Gergely et al.
British journal of pharmacology, 167(5), 1035-1047 (2012-06-01)
BAF312 is a next-generation sphingosine 1-phosphate (S1P) receptor modulator, selective for S1P(1) and S1P(5 ) receptors. S1P(1) receptors are essential for lymphocyte egress from lymph nodes and a drug target in immune-mediated diseases. Here, we have characterized the immunomodulatory potential

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