SML3975

Ponesimod

≥95% (HPLC)

• Synonym(s): (2Z,5Z)-5-[3-Chloro-4-[(2R)-2,3dihydroxypropoxy ]benzylidene ]-3-(2-methylphenyl)-2-(propylimino )-1,3-thiazolidin-4-one, (R)-5-[3-Chloro-4-(2,3-dihydroxy-propoxy)-benz[Z]ylidene]-2-([Z]-propylimino)-3-o-tolyl-thiazolidin-4-one, 5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-benz-(Z)-ylidene]-2-[(Z)-propylimino]-3-o-tolyl-thiazolidin-4-one, ACT 128800, ACT-128800, ACT128800
• Empirical Formula (Hill Notation): C₂₃H₂₅ClN₂O₄S
• CAS Number: 854107-55-4
• Molecular Weight: 460.97
• MDL number: MFCD18207776
• UNSPSC Code: 12352200

Properties

• Quality Level: 100
• assay: ≥95% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: -10 to -25°C
• SMILES string: S1\C(=N/CCC)\N(C(=O)\C\1=C\c3cc(c(cc3)OC[C@H](O)CO)Cl)c2c(cccc2)C
• 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-STDDISTJSA-N

Description

Biochem/physiol Actions

Orally active, potent and subtype-selective sphingosine-1-phosphate (S1P) receptor S1P1 agonist.
Ponesimod (ACT-128800) is an orally active, potent and subtype-selective sphingosine-1-phosphate (S1P) receptor agonist (human S1P1/2/3/4/5 EC50 = 5.7 nM/>10 µM/105 nM/1.108 µM/59.1 nM by 35S-GTPγ binding, 6.0 nM/>10 µM/2.068 µM/1.956 µM/142 nM by 33P-S1P binding). Ponesimod oral administration causes a significant decrease in peripheral lymphocyte counts in rats in vivo (by 65-75% 3h post 3 mg/kg).

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302,H360FD
• pcodes: P202 - P264 - P280 - P301 + P312 - P308 + P313 - P405
• Hazard Classifications: Acute Tox. 4 Oral - Repr. 1B
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable