Name: Ponesimod (ACT-128800)
Brand: Selleck Chemicals
SKU: S8241
Availability: InStock
Rating: 5 (6 reviews)

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Quality Control

Batch: S824101 DMSO]92 mg/mL]false]Ethanol]92 mg/mL]false]Water]Insoluble]false Purity: 99.92%

Cited in Nature Medicine for its top-tier quality
COA
NMR
SDS
Datasheet

99.92

Related Targets	CXCR Hedgehog/Smoothened PKA Adrenergic Receptor AChR 5-HT Receptor Histamine Receptor Dopamine Receptor Ras KRas
Other S1P Receptor Inhibitors	JTE 013 CAY10444 PF 429242 CYM5541 CYM-5520 SEW 2871 Etrasimod(APD334) MP-A08 SLF1081851 hydrochloride K145

Cell Culture, Treatment & Working Concentration

Cell Lines	Assay Type	Incubation Time	Activity Description	PMID
CHO	Function assay		Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay, EC50=0.0097μM	20446681
CHO	Function assay		Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay, EC50=0.109μM	20446681
CHOK1	Function assay	90 mins	Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay, IC50=0.01259μM	30143424
Click to View More Cell Line Experimental Data

Solubility

In vitro
Batch:

DMSO : 92 mg/mL (199.57 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 92 mg/mL

Water : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
Mass value Mass unit	Concentration value Concentration unit	Volume value Volume unit	Molecular weight (g/mol)

Dilution Calculator Molecular Weight Calculator

In vivo batch selection In vivo Batch:
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.
Clear solution	5%DMSO 1 40%PEG300 2 5%Tween80 3 50%ddH2O Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	4.6mg/ml (9.98mM)	Taking the 1 mL working solution as an example, add 50 μL of 92 mg/ml clarified DMSO stock solution to 400 μL of PEG300, mix evenly to clarify it; add 50 μL of Tween80 to the above system, mix evenly to clarify; then continue to add 500 μL of ddH2O to adjust the volume to 1 mL. The mixed solution should be used immediately for optimal results.
Clear solution	5% DMSO 1 95% Corn oil Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	0.65mg/ml (1.41mM)	Taking the 1 mL working solution as an example, add 50 μL of 13 mg/ml clear DMSO stock solution to 950 μL of corn oil and mix evenly. The mixed solution should be used immediately for optimal results.

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

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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

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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.

Chemical Information, Storage & Stability

Molecular Weight	460.97	Formula	C₂₃H₂₅ClN₂O₄S	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	854107-55-4	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	ACT-128800			Smiles	CCCN=C1N(C(=O)C(=CC2=CC(=C(C=C2)OCC(CO)O)Cl)S1)C3=CC=CC=C3C

Mechanism of Action

Targets/IC₅₀/Ki	S1P1 receptor (In recombinant Chinese hamster ovary cells) 5.7 nM(EC50)
In vitro	Relative to the potency of S1P, the potency of ponesimod at human recombinant receptors was 4.4-fold higher for S1P1 and 150-fold lower for human S1P3. Therefore, this compound was ∼650-fold more selective for human S1P1 over S1P3 than the natural ligand.
Kinase Assay	GTPγS Binding Assay
Kinase Assay	GTPγS binding assays use membrane preparations of cells expressing recombinant S1P receptors of human, rat, or mouse origin. EC50 values were determined using IC50 Witch. Results were expressed as EC50 using the maximal response generated by S1P (percentage effect of maximal response) as an external maximum and solvent as minimum. Data are expressed as nanomoles of EC50 (geometric mean, geometric standard deviation).
In vivo	Ponesimod is a new, potent, and selective S1P1 receptor agonist with pharmacokinetic properties allowing rapid restoration of lymphocyte count in peripheral blood upon discontinuation. This compound prevents edema formation, inflammatory cell accumulation, and cytokine release in the skin of mice with delayed-type hypersensitivity. It also prevents the increase in paw volume and joint inflammation in rats with adjuvant-induced arthritis. Selective activation of S1P1 using this compound leads to blood lymphocyte count reduction and prevention in models of lymphocyte-mediated tissue inflammation. It has the potential to be as effective in animal models of autoimmunity and human autoimmune disease via its effect on T and B cell blood count. Thus, this compound may represent a new therapeutic option for the treatment of autoimmune diseases. This chemical is eliminated within 1 week of discontinuation and its pharmacological effects are rapidly reversible .
References	[1] https://pubmed.ncbi.nlm.nih.gov/21345969/ [2] https://pubmed.ncbi.nlm.nih.gov/26770667/ [3] https://pubmed.ncbi.nlm.nih.gov/21345969/

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT05552196	Completed	Healthy	Janssen Pharmaceutica N.V. Belgium	October 18 2022	Phase 1
NCT02029482	Completed	Safety and Tolerability	Actelion	April 2010	Phase 1
NCT02223832	Completed	Healthy	Actelion	February 2009	Phase 1

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Ponesimod (ACT-128800) S1P1 Agonist

Chemical Structure

Molecular Weight: 460.97