Siponimod
- Product Name
- Siponimod
- CAS No.
- 1234627-85-0
- Chemical Name
- Siponimod
- Synonyms
- Siponimod fumarate;Siponimed hemi-fumarate;Siponimod hemi-fumarate;Siponimod semi-fumarate;Siponimod fumarate (BAF312);Siponimod Hemifumarate/BAF-312 Hemifumarate;(E)-1-(4-(1-(((4-cyclohexyl-3-(trifluoromethyl)benzyl)oxy)imino)ethyl)-2-ethylbenzyl)-azetidine-3-carboxylic acid hemifumarate
- CBNumber
- CB63159978
- Molecular Formula
- C33H39F3N2O7
- Formula Weight
- 632.68
- MOL File
- 1234627-85-0.mol
Siponimod Property
- 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 and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H361Suspected of damaging fertility or the unborn child
H373May cause damage to organs through prolonged or repeated exposure
H411Toxic to aquatic life with long lasting effects
- Precautionary statements
-
P201Obtain special instructions before use.
P202Do not handle until all safety precautions have been read and understood.
P260Do not breathe dust/fume/gas/mist/vapours/spray.
P281Use personal protective equipment as required.
P308+P313IF exposed or concerned: Get medical advice/attention.
P314Get medical advice/attention if you feel unwell.
P405Store locked up.
P501Dispose of contents/container to..…
Siponimod Chemical Properties,Usage,Production
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
Siponimod Preparation Products And Raw materials
Raw materials
Preparation Products
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