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Ponesimod - 97%, high purity , Sphingosine 1-phosphate receptor Edg-1 agonist, CAS No.854107-55-4, Sphingosine 1-phosphate receptor Edg-1 agonist

Moligand™
≥97%

CAS#: 854107-55-4
Formula: C23H25ClN2O4S
Molecular Weight: 460.974
PubChem CID: 11363176

Item Number

P177659

Grouped product items
SKU	Size	Availability	Price
P177659-5mg	5mg	In stock	$107.90
P177659-10mg	10mg	In stock	$173.90
P177659-25mg	25mg	In stock	$391.90
P177659-50mg	50mg	In stock	$565.90
P177659-100mg	100mg	In stock	$924.90

Potent sphingosine-1-phophate receptor agonist

View related series

S1P1 receptor Agonist S1P3 receptor Agonist S1P4 receptor Agonist S1P5 receptor Agonist

Basic Description

Synonyms	Ponesimod\|854107-55-4\|ACT-128800\|Ponvory\|5G7AKV2MKP\|CHEMBL1096146\|ACT128800\|(Z)-5-((Z)-3-chloro-4-((R)-2,3-dihydroxypropoxy)benzylidene)-2-(propylimino)-3-(o-tolyl)thiazolidin-4-one\|(2Z,5Z)-5-(3-Chloro-4-((2R)-2,3-dihydroxypropoxy)phenylmethylidene)-3-(2-
Specifications & Purity	Moligand™, ≥97%
Biochemical and Physiological Mechanisms	Ponesimod is a potent agonist of sphingosine-1-phophate receptor.\xa0(S1P 1 /EDG-1; IC 50 s = 6, >10,000, 2,068, 1,956, and 142 nM for S1P 1 -S1P 5 , respectively, in a radioligand binding assay). Selectively activates S1P 1 in a GTPγS assay (EC 50 s = 5.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	AGONIST
Mechanism of action	Sphingosine 1-phosphate receptor Edg-1 agonist

Associated Targets

S1PR5 Tclin Sphingosine 1-phosphate receptor 5 1 Activities

Discover Target: S1PR5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

S1PR4 Tclin Sphingosine 1-phosphate receptor 4 1 Activities

Discover Target: S1PR4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HDAC6 Tclin Histone deacetylase 6 0 Activities

Discover Target: HDAC6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

S1PR1 Tclin Sphingosine 1-phosphate receptor 1 3 Activities

Discover Target: S1PR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

S1PR3 Tclin Sphingosine 1-phosphate receptor 3 1 Activities

Discover Target: S1PR3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	(5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
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
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
PubChem CID	11363176
Molecular Weight	460.974

PubChem CID

ChEMBL Ligand

CAS Registry No.

DrugCentral Ligand

GPCRdb Ligand

Certificates

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5 results found

Lot Number	Certificate Type	Date	Item
B23221013	Certificate of Analysis	Nov 19, 2022	P177659
B23221020	Certificate of Analysis	Nov 19, 2022	P177659
B23221022	Certificate of Analysis	Nov 19, 2022	P177659
B23221023	Certificate of Analysis	Nov 19, 2022	P177659
B23221062	Certificate of Analysis	Nov 19, 2022	P177659

Safety and Hazards(GHS)

Pictogram(s)	GHS08, GHS09, GHS07
Signal	Danger
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H411:Toxic to aquatic life with long lasting effects H302:Harmful if swallowed H312:Harmful in contact with skin H332:Harmful if inhaled H360:May damage fertility or the unborn child H360D:May damage the unborn child
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P391:Collect spillage. P330:Rinse mouth. P203:Obtain, read and follow all safety instructions before use. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P318:if exposed or concerned, get medical advice. P317:Get emergency medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.

References

1. Bolli MH, Abele S, Binkert C, Bravo R, Buchmann S, Bur D, Gatfield J, Hess P, Kohl C, Mangold C et al.. (2010) 2-imino-thiazolidin-4-one derivatives as potent, orally active S1P1 receptor agonists.. J Med Chem, 53 (10): (4198-211). [PMID:20446681]
2. Wingerchuk DM, Weinshenker BG. (2016) Disease modifying therapies for relapsing multiple sclerosis.. BMJ, 354 (3): (i3518). [PMID:27549763]

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