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Siponimod (BAF312)

Name: Siponimod (BAF312)
Brand: Selleck Chemicals
SKU: S7179
Rating: 5 (15 reviews)

Catalog No.S7179 Purity:99.96%

BAF312 (Siponimod) is a next-generation S1P receptor agonist, selective for S1P1 and S1P5 receptors with EC50 of 0.39 nM and 0.98 nM, exhibits >1000-fold selectivity over S1P2, S1P3 and S1P4 receptors. Phase 3.

Siponimod (BAF312) Chemical Structure

CAS No. 1230487-00-9

Purity & Quality Control

Batch: Purity: 99.96%

99.96

Siponimod (BAF312) Related Products

Related Targets	S1PR1 S1PR4 S1PR5 S1PR2	Click to Expand
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Related Compound Libraries	FDA-approved Drug Library Natural Product Library Bioactive Compound Library-I GPCR Compound Library	Click to Expand

Signaling Pathway

S1P Receptor Signaling Pathway

Cell Data

Cell Lines	Assay Type	Incubation Time	Activity Description	PMID
CHO	Function assay	120 mins	Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay, EC50=0.0004μM	24900670
CHO	Function assay		Agonist activity at human S1P5 receptor expressed in CHO cells by [35S]GTPgammaS binding assay, EC50=0.00098μM	24125884
CHO	Function assay		Agonist activity at human S1P4 receptor expressed in CHO cells by [35S]GTPgammaS binding assay, EC50=0.75μM	24125884
CHO	Function assay	120 mins	Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay, EC50=5μM	24900670
Click to View More Cell Line Experimental Data

Biological Activity

Description

Targets

S1P1 receptor ^[1]	S1P5 receptor ^[1]
0.39 nM(EC50)	0.98 nM(EC50)

In vitro
In vitro	BAF312 (Siponimod) is a potent and selective S1P receptor agonist, with EC50 of 0.39 nM and 0.98 nM for S1P₁ and S1P₅receptors, exhibits >1000-fold selectivity over S1P₂, S1P₃ and S1P₄ receptors. ^[1]BAF312 (1 h at 1 μM) promotes prominent internalization of S1P1 receptors by 91%.^[2]
Kinase Assay	GTPγ[³⁵S] binding assay
Kinase Assay	The cells are homogenized and centrifuged at 26900 × g for 30 min at 4°C. Membranes are re-suspended in 20 mM HEPES (pH 7.4), 100 mM NaCl, 10 mM MgCl₂, 1 mM EDTA and 0.1% fat-free BSA at 2–3 mg protein/mL. GTPγ[³⁵S] binding assay is performed with the membranes (75 mg protein /mL in 50 mM HEPES, 100 mM NaCl, 10 mM MgCl₂, 20 μg/mL saponin and 0.1% fat-free BSA (pH 7.4), 5 mg/mL with wheat-germ agglutinin-coated scintillation proximity assay-bead, and 10 μM GDP for 10–15 min. The GTPγ[³⁵S]-binding reaction is started by the addition of 200 pM GTPγ[³⁵S]. After 120 min at room temperature, the plates are centrifuged for 10 min at 300 × g and counted.
Cell Research	Cell lines	CHO
	Concentrations	~1 μM
	Incubation Time	1 h
	Method	Agonist-mediated internalization of S1P₁ receptors in CHO cells analysed by flow cytometry Myc-tag hS1P₁ cells are incubated for 1 h with agonist at 37°C in standard culture medium followed by a PBS wash. An aliquot is kept on ice for 3 h, while another aliquot is left for 3 (or 12) h in culture medium (no agonist) at 37°C. The cells are then incubated either with 4 μg/mL monoclonal mouse anti C-myc IgG1 antibody or with isotype control mouse IgG1 for 60 min at 4°C, followed by an incubation with 1 μg/mL of Alexa488-labelled goat anti-mouse secondary conjugates. The cells are subjected to flow cytometry measurements using 10000 viable cells per sample.
Experimental Result Images	Methods	Biomarkers	Images	PMID
	Western blot	p-ERK / ERK / p-AKT / AKT		26856814
	Immunofluorescence	Vimentin / S1PR1		26856814

In Vivo
In vivo	BAF312 effectively suppresses encephalomyelitis (EAE) in rats by internalizing S1P₁ receptors, rendering them insensitive to the egress signal from lymph nodes. ^[1] BAF312 significantly reduces clinical scores when dosed prophylactically or therapeutically in mice at 0.3 mg/kg. ^[3]
Animal Research	Animal Models	encephalomyelitis (EAE) model rat
	Dosages	0.03, 0.3 and 3 mg/kg
	Administration	oral gavage

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
Clinical Trial Information (data from https://clinicaltrials.gov, updated on 2024-05-22)
NCT05376579	Active not recruiting	Active Secondary Progressive Multiple Sclerosis	Novartis Pharmaceuticals\|Novartis	June 17 2022	--
NCT04895202	Terminated	Secondary Progressive Multiple Sclerosis With Inflammatory Disease Activity	Novartis Pharmaceuticals\|Novartis	November 19 2021	--
NCT05826028	Completed	Secondary Progressive Multiple Sclerosis	Novartis Pharmaceuticals\|Novartis	July 9 2020	--
NCT02029274	Terminated	Active Dermatomyositis	Novartis Pharmaceuticals\|Novartis	August 25 2013	Phase 2

References

Chemical Information & Solubility

Molecular Weight	516.6	Formula	C₂₉H₃₅F₃N₂O₃
CAS No.	1230487-00-9	SDF	Download Siponimod (BAF312) SDF
Smiles	CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)C)CN4CC(C4)C(=O)O
Storage (From the date of receipt)	3 years-20°Cpowder	Storage of Stock Solutions Aliquot the stock solutions to avoid repeated freeze-thaw cycles	1 year-80°Cin solvent
Storage (From the date of receipt)	3 years-20°Cpowder		1 month-20°Cin solvent

In vitro
Batch:

DMSO : 100 mg/mL ( (193.57 mM) Moisture-absorbing DMSO reduces solubility. Please use fresh DMSO.)

Ethanol : 25 mg/mL

Water : Insoluble

Molecular Weight Calculator

In vivo Batch: Add solvents to the product individually and in order.				In vivo Formulation Calculator
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.

Preparing Stock Solutions

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
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Dilution Calculator Molecular Weight Calculator

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg Average weight of animals: g Dosing volume per animal:μL Number of animals:

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO + % + % Tween 80 + % ddH₂O

%DMSO+ %

Calculation results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such
as vortex, ultrasound or hot water bath can be used to aid dissolving.

Tech Support

Answers to questions you may have can be found in the inhibitor handling instructions. Topics include how to prepare stock solutions, how to store inhibitors, and issues that need special attention for cell-based assays and animal experiments.

Handling Instructions

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