SPM-354 - Moligand™ , Antagonist of S1P 1 receptor;Antagonist of S1P 3 receptor, CAS No.S613678, Antagonist of S1P 1 receptor;Antagonist of S1P 3 receptor

CAS: S613678 Cat. No.: S613678 PubChem CID: 49869062

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of S1P 1 receptor;Antagonist of S1P 3 receptor

Namen und Kennungen

• Kanonisches Lächeln: CCC[C@@](COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cc(ccc1O)C(F)(F)F)N
• IUPAC Name: [(2S)-2-amino-2-[2-[2-chloro-4-[2-hydroxy-5-(trifluoromethyl)phenyl]sulfanylphenyl]ethyl]pentyl] dihydrogen phosphate
• InChIKey: WDHXDLFPOPVGGO-IBGZPJMESA-N
• INCHI: 1S/C20H24ClF3NO5PS/c1-2-8-19(25,12-30-31(27,28)29)9-7-13-3-5-15(11-16(13)21)32-18-10-14(20(22,23)24)4-6-17(18)26/h3-6,10-11,26H,2,7-9,12,25H2,1H3,(H2,27,28,29)/t19-/m0/s1
• Isomere SMILES: CCC[C@](CCC1=C(C=C(C=C1)SC2=C(C=CC(=C2)C(F)(F)F)O)Cl)(COP(=O)(O)O)N
• PubChem CID: 49869062

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: Trifluoromethylbenzenes Thiophenol ethers Phosphoethanolamines 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Chlorobenzenes Monoalkyl phosphates Aryl chlorides Sulfenyl compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides Organochlorides Organofluorides Organooxygen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diarylthioether - Trifluoromethylbenzene - Phosphoethanolamine - Thiophenol ether - Chlorobenzene - Halobenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monoalkyl phosphate - Aralkylamine - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Hydrocarbon derivative - Organohalogen compound - Primary aliphatic amine - Alkyl halide - Alkyl fluoride - Amine - Organic oxide - Organic nitrogen compound - Primary amine - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (menschlich)

S1PR1 Tclin Sphingosine 1-phosphate receptor 1 (1 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)

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is S613678. InChIKey WDHXDLFPOPVGGO-IBGZPJMESA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.