KRP 203-phosphate - Moligand™ , Agonist of S1P 1 receptor;Agonist of S1P 4 receptor, CAS No.K611357, Agonist of S1P 1 receptor;Agonist of S1P 4 receptor

CAS: K611357 Cat. No.: K611357 PubChem CID: 56947075

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of S1P 1 receptor;Agonist of S1P 4 receptor

Names and Identifiers

• Canonical Smiles: OCC(COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cccc(c1)Oc1ccccc1)N
• IUPAC Name: [2-amino-2-(2-{2-chloro-4-[(3-phenoxyphenyl)sulfanyl]phenyl}ethyl)-3-hydroxypropoxy]phosphonic acid
• InChIKey: BZVUYJGCYLMFGX-UHFFFAOYSA-N
• INCHI: 1S/C23H25ClNO6PS/c24-22-14-21(10-9-17(22)11-12-23(25,15-26)16-30-32(27,28)29)33-20-8-4-7-19(13-20)31-18-5-2-1-3-6-18/h1-10,13-14,26H,11-12,15-16,25H2,(H2,27,28,29)
• Isomeric SMILES: C1=CC=C(C=C1)OC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(CO)(COP(=O)(O)O)N)Cl
• PubChem CID: 56947075

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Diarylthioethers Thiophenol ethers Phenol ethers Phenoxy compounds Phosphoethanolamines Monoalkyl phosphates Aralkylamines Chlorobenzenes Aryl chlorides 1,2-aminoalcohols Sulfenyl compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Diarylthioether - Phenoxy compound - Aryl thioether - Phenol ether - Phosphoethanolamine - Thiophenol ether - Chlorobenzene - Halobenzene - Monoalkyl phosphate - Aralkylamine - Alkyl phosphate - Aryl chloride - Aryl halide - Organic phosphoric acid derivative - Phosphoric acid ester - 1,2-aminoalcohol - Thioether - Ether - Sulfenyl compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Primary aliphatic amine - Alcohol - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Primary alcohol - Primary amine - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

Associated Targets(Human)

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)

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)