CAS 1230487-00-9|Siponimod

Introduction：Basic information about CAS 1230487-00-9|Siponimod, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Siponimod BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	Siponimod
CAS Number	1230487-00-9	Molecular Weight	516.595
Density	1.2±0.1 g/cm3	Boiling Point	602.0±65.0 °C at 760 mmHg
Molecular Formula	C₂₉H₃₅F₃N₂O₃	Melting Point	/
MSDS	/	Flash Point	317.9±34.3 °C

Names

Name	Siponimod
Synonym	More Synonyms

Siponimod BiologicalActivity

Description	Siponimod (BAF-312) is a potent and selective sphingosine-1-phosphate (S1P) receptor modulator. It is selective for S1P1 and S1P5 receptors over S1P2, S1P3, and S1P4 (EC50s of 0.39, 0.98, >10,000, >1,000, and 750 nM, respectively.)
Related Catalog	Signaling Pathways >>GPCR/G Protein >>LPL ReceptorResearch Areas >>Others
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.

Chemical & Physical Properties

Density	1.2±0.1 g/cm3
Boiling Point	602.0±65.0 °C at 760 mmHg
Molecular Formula	C₂₉H₃₅F₃N₂O₃
Molecular Weight	516.595
Flash Point	317.9±34.3 °C
Exact Mass	516.259949
PSA	62.13000
LogP	6.90
Vapour Pressure	0.0±1.8 mmHg at 25°C
Index of Refraction	1.571
InChIKey	KIHYPELVXPAIDH-APTWKGOFSA-N
SMILES	CCc1cc(C(C)=NOCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1
Storage condition	-20℃

Synonyms

3-Azetidinecarboxylic acid, 1-[[4-[(1E)-1-[[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-ethylphenyl]methyl]-

BAF312

1-{4-[1-((E)-4-cyclohexyl-3-trifluoromethyl-benzyloxyimino)-ethyl]-2-ethyl-benzyl}-azetidine-3-carboxylic acid

BAF-312

Siponimod

1-[4-[N-[4-cyclohexyl-3-(trifluoromethyl)benzyloxy]-1(E)-imino ethyl]-2-ethylbenzyl]azetidine-3-carboxylicacid

1-(4-{1-[(E)-4-cyclohexyl-3-trifluoromethylbenzyloxyimino]ethyl}-2-ethylbenzyl)azetidine-3-carboxylic acid

1-{4-[(1E)-N-{[4-Cyclohexyl-3-(trifluoromethyl)benzyl]oxy}ethanimidoyl]-2-ethylbenzyl}-3-azetidinecarboxylic acid

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