Ponesimod | B3121

Ponesimod is a potent agonist of sphingosine-1-phosphate receptor 1 (S1P1) receptor. It reduces the circulating lymphocytes at a dose of 3-100 mg/kg in a rat model. It selectively activates S1P1 in a GTPγS assay with an EC₅₀ of 5.7 nM. It has been recently approved for the treatment of multiple sclerosis.

Ponesimod is a potent agonist of sphingosine-1-phosphate receptor 1 (S1P1) receptor. It reduces the circulating lymphocytes at a dose of 3-100 mg/kg in a rat model. It selectively activates S1P1 in a GTPγS assay with an EC₅₀ of 5.7 nM. It has been recently approved for the treatment of multiple sclerosis.

B3121 | Ponesimod DataSheet

Alternate Name/Synonyms: ACT-128800, (5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one; (2Z,5Z)-5-(3-Chloro-4-((R)-2,3-dihydroxypropoxy)benzylidene)-2-(propylimino)-3-(o-tolyl)thiazolidin-4-one

Appearance: Light yellow to yellow solid

Formulation:

CAS Number: 854107-55-4

Structure Available?: TRUE

Peptide sequence:

Salt Form: FALSE

Molecular Formula: C₂₃H₂₅ClN₂O₄S

Molecular Weight: 460.97

Cell-Permeable?: True

Purity: ≥ 98% (HPLC)

Solubilities: ~5 mg/ml in DMSO or DMF

Handling: Do not take internally. Wear gloves and mask when handling the product! Avoid contact by all modes of exposure.

Country of Origin: USA

Tag Line: A potent agonist of sphingosine-1-phosphate receptor 1 (S1P1) receptor

MDL Number: MFCD18207776

PubChem CID: 11363176

SMILES: CCCN=C1N(C(=O)C(=CC2=CC(=C(C=C2)OCC(CO)O)Cl)S1)C3=CC=CC=C3C

InChi: InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23?/t17-/m1/s1

InChi Key: LPAUOXUZGSBGDU-ULCCENQXSA-N