Ponesimod - Moligand™, ≥97% , Sphingosine 1-phosphate receptor Edg-1 agonist, CAS No.854107-55-4, Sphingosine 1-phosphate receptor Edg-1 agonist

CAS: 854107-55-4 Cat. No.: P177659 Molecular Weight: 460.974 EC Number: 848-887-0 PubChem CID: 11363176
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
Synonyms
BP175283 | Ponesimod,ACT-128800 | 4-Thiazolidinone, 5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylene]-3-(2-methylphenyl)-2-(propylimino)-, (2Z,5Z)- | 5G7AKV2MKP | PONESIMOD [USAN] | STK374497 | AMY23424 | (2Z,5Z)-5-(3-Chloro-4-((R)-2,3-dihydroxy
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
P177659-5mg
2
$89.90
10mg
P177659-10mg
2
$161.90
25mg
P177659-25mg
2
$274.90
50mg
P177659-50mg
2
$494.90
100mg
P177659-100mg
2
$696.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥97% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
BP175283 | Ponesimod, ACT-128800 | 4-Thiazolidinone, 5-[[3-chloro-4-[(2R)-2, 3-dihydroxypropoxy]phenyl]methylene]-3-(2-methylphenyl)-2-(propylimino)-, (2Z, 5Z)- | 5G7AKV2MKP | PONESIMOD [USAN] | STK374497 | AMY23424 | (2Z, 5Z)-5-(3-Chloro-4-((R)-2, 3-dihydroxy
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
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Sphingosine 1-phosphate receptor Edg-1 agonist
Purity
≥97%
Product Properties
ALogP4.6
Names and Identifiers
Pubchem Sid504766343
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504766343
Canonical SmilesCCCN=C1N(C(=O)C(=CC2=CC(=C(C=C2)OCC(CO)O)Cl)S1)C3=CC=CC=C3C
IUPAC Name(5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
InChIKeyLPAUOXUZGSBGDU-ULCCENQXSA-N
INCHI1S/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
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

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenol ethers
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenol ethers
Alternative Parents Phenoxy compounds  Toluenes  Alkyl aryl ethers  Chlorobenzenes  Aryl chlorides  Thiazolidines  Secondary alcohols  1,2-diols  Isothioureas  Propargyl-type 1,3-dipolar organic compounds  Azacyclic compounds  Carboxylic acids and derivatives  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  Organochlorides  Organonitrogen compounds  Primary alcohols  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Thiazolidine - 1,2-diol - Isothiourea - Secondary alcohol - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
S1PR5 Tclin Sphingosine 1-phosphate receptor 5 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
S1PR4 Tclin Sphingosine 1-phosphate receptor 4 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
S1PR1 Tclin Sphingosine 1-phosphate receptor 1 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
S1PR3 Tclin Sphingosine 1-phosphate receptor 3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
S1PR3 Tclin Sphingosine 1-phosphate receptor Edg-3 (2543 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate TypeDateItem
B23221023Certificate of AnalysisDec 22, 2025 P177659
B23221022Certificate of AnalysisDec 22, 2025 P177659
B23221020Certificate of AnalysisDec 22, 2025 P177659
B23221013Certificate of AnalysisDec 10, 2025 P177659
B23221062Certificate of AnalysisDec 10, 2025 P177659
C2511342Certificate of AnalysisNov 19, 2022 P177659
Chemical and Physical Properties
Molecular Weight461.000 g/mol
XLogP34.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass460.122 Da
Monoisotopic Mass460.122 Da
Topological Polar Surface Area108.000 Ų
Heavy Atom Count31
Formal Charge0
Complexity674.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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