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About This Item
Empirical Formula (Hill Notation):
C23H25ClN2O4S
CAS Number:
Molecular Weight:
460.97
MDL number:
NACRES:
NA.21
Assay:
≥95% (HPLC)
Form:
powder
Quality Segment
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
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).
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).
signalword
Danger
hcodes
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
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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