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AB231509

Ponesimod, sphingosine-1-phophate receptor agonist

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MW 461 Da. Ponesimod is a potent agonist of sphingosine-1-phophate receptor. (S1P1/EDG-1; IC50s = 6, >10,000, 2,068, 1,956, and 142 nM for S1P1-S1P5, respectively, in a radioligand binding assay). Selectively activates S1P1 in a GTPγS assay (EC50s = 5.7, >10,000, 105, 1,108, and 59.1 nM, for S1P1-S1P5, respectively).
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Chemical Structure - Ponesimod, sphingosine-1-phophate receptor agonist (AB231509)
  • Chemical Structure

Lab

Chemical Structure - Ponesimod, sphingosine-1-phophate receptor agonist (AB231509)

2D chemical structure image of ab231509, Ponesimod, sphingosine-1-phophate receptor agonist

Key facts

CAS number

854107-55-4

Form

Solid

form

Molecular weight

461 Da

Molecular formula

C<sub>2</sub><sub>3</sub>H<sub>2</sub><sub>5</sub>ClN<sub>2</sub>O<sub>4</sub>S

PubChem

11363176

Nature

Synthetic

Solubility

Soluble in DMSO to 10 mM.

Biochemical name

Ponesimod

Biological description

Ponesimod is a potent agonist of sphingosine-1-phophate receptor. (S1P1/EDG-1; IC50s = 6, >10,000, 2,068, 1,956, and 142 nM for S1P1-S1P5, respectively, in a radioligand binding assay). Selectively activates S1P1 in a GTPγS assay (EC50s = 5.7, >10,000, 105, 1,108, and 59.1 nM, for S1P1-S1P5, respectively).

Canonical smiles

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

Isomeric smiles

CCCN=C1N(C(=O)/C(=C/C2=CC(=C(C=C2)OC[C@@H](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

InChiKey

LPAUOXUZGSBGDU-ULCCENQXSA-N

IUPAC Name

(5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one

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Properties and storage information

Shipped at conditions
Blue Ice
Appropriate short-term storage conditions
-20°C
Appropriate long-term storage conditions
-20°C
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Product protocols

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