BAF312 (Siponimod) is a second-generation S1P receptor agonist that acts selectively on S1P1 and S1P5 receptors with EC50 of 0.39 nM and 0.98 nM, respectively, more than 1000 times more selective than for S1P2, S1P3, and S1P4 receptors. Phase 3.

Siponimod, also known as Mayzent, by Novartis, is a new drug formulated for the management of Multiple Sclerosis (MS). It was approved by the FDA on March 26, 2019 and by Health Canada on February 20, 2020.

 

Brand: BCM

 

Melting Point: 154 - 157°C

 

Target: S1P Receptor; LPL Receptor

 

Signaling Pathways: GPCR/G Protein

 

pKa: 2.69±0.20(Predicted)

 

Solubility: Soluble in DMSO (warmed with 50ºC water bath); Soluble in Ethanol (warmed with 50ºC water bath). Insoluble in Water.

 

GHS: GHS07

 

Isomeric SMILES: CCC1=C(C=CC(=C1)/C(=N/OCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)/C)CN4CC(C4)C(=O)O  

 

InChIKey: KIHYPELVXPAIDH-HNSNBQBZSA-N  

 

InChI: 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/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+ 

 

Attribute
[Chem Name]	1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidine-3-carboxylic acid
[Synonym]	Siponimod; BAF312
[CAS No.]	1230487-00-9
[MDL No.]	MFCD26142651
[Formula]	C29H35F3N2O3
[Molecular]	516.59
[Form]	White to Off-White Solid
[Storage]	Sealed in dry, 2-8°C

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