| Identification | Back Directory | [Name]
Siponimod | [CAS]
1234627-85-0 | [Synonyms]
Siponimod fumarate
Siponimod semi-fumarate
Siponimod hemi-fumarate | [Molecular Formula]
C33H39F3N2O7 | [MDL Number]
MFCD31536984 | [MOL File]
1234627-85-0.mol | [Molecular Weight]
632.68 |
| Chemical Properties | Back Directory | [form ]
Solid | [color ]
White to off-white | [InChIKey]
GDOJWCQYEGMSSF-FLNKEUCSSA-N | [SMILES]
C(/C(=O)O)=C\C(=O)O.C(C1C=C(CO/N=C(/C2C=CC(CN3CC(C(=O)O)C3)=C(CC)C=2)\C)C=CC=1C1CCCCC1)(F)(F)F |
| Hazard Information | Back Directory | [Uses]
Siponimod (BAF-312) hemifumarate is a potent and selective sphingosine-1-phosphate (S1P) receptor modulator. Siponimod hemifumarate is selective for S1P1 and S1P5 receptors over S1P2, S1P3, and S1P4 (EC50s of 0.39, 0.98, >10000, >1000, and 750 nM, respectively). Siponimod hemifumarate can be used for multiple sclerosis (MS) research[1][2]. | [IC 50]
S1PR1: 0.39 nM (EC50); S1PR5: 0.98 nM (EC50); S1PR4: 750 nM (EC50); S1PR3: >1000 nM (EC50); S1PR2: >10000 nM (EC50) | [References]
[1] Pan S, et al. Discovery of BAF312 (Siponimod), a Potent and Selective S1P Receptor Modulator. ACS Med Chem Lett. 2013 Jan 4;4(3):333-7. DOI:10.1021/ml300396r
[2] McGinley M, et al. Prospects of siponimod in secondary progressive multiple sclerosis. Ther Adv Neurol Disord. 2018 Jul 17;11:1756286418788013. DOI:10.1177/1756286418788013
[3] Behrangi N, et al. Mechanism of Siponimod: Anti-Inflammatory and Neuroprotective Mode of Action. Cells. 2019 Jan 7;8(1):24. DOI:10.3390/cells8010024 |
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