d-ribo Phytosphingosine 1-Phosphate - Moligand™, ≥95% , Agonist of S1P 4 receptor, CAS No.38597-28-3, Agonist of S1P 4 receptor

CAS: 38597-28-3 Cat. No.: D333341 Peso molecular: 397.49 PubChem CID: 10883829

GRADE & PURITY Moligand™, ≥95%

Synonyms

LMSP01050003 | phytoS1P | (2S,3S,4R)-2-Amino-1,3,4-octadecanetriol 1-(Dihydrogen Phosphate) | Q27088376 | D-ribo-Phytosphingosine-1-Phosphate | DTXSID30959310 | 2-Amino-3,4-dihydroxyoctadecyl dihydrogen phosphate | PhS1P | SCHEMBL17522136 | GTPL2922 | phy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

d-ribo Phytosphingosine 1-Phosphate is a potential modulator of cellular processes. It is also a high affinity ligand for the S1P4/Edg-6 receptor.

Specifications

Sinónimos

LMSP01050003 | phytoS1P | (2S, 3S, 4R)-2-Amino-1, 3, 4-octadecanetriol 1-(Dihydrogen Phosphate) | Q27088376 | D-ribo-Phytosphingosine-1-Phosphate | DTXSID30959310 | 2-Amino-3, 4-dihydroxyoctadecyl dihydrogen phosphate | PhS1P | SCHEMBL17522136 | GTPL2922 | phy

Especificaciones y pureza

Moligand™, ≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of S1P 4 receptor

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCCCC(C(C(COP(=O)(O)O)N)O)O
• IUPAC Name: [(2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl] dihydrogen phosphate
• InChIKey: AYGOSKULTISFCW-KSZLIROESA-N
• INCHI: 1S/C18H40NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18(21)16(19)15-25-26(22,23)24/h16-18,20-21H,2-15,19H2,1H3,(H2,22,23,24)/t16-,17+,18-/m0/s1
• Isómeros SMILES: CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COP(=O)(O)O)N)O)O
• PubChem CID: 10883829
• Peso molecular: 397.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Sphingolipids
      • Subclass Phosphosphingolipids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Sphingolipids
• Subclass: Phosphosphingolipids
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphosphingolipids
• Alternative Parents: Phosphoethanolamines Monoalkyl phosphates 1,3-aminoalcohols Secondary alcohols 1,2-diols 1,2-aminoalcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sphingoid-1-phosphate or derivatives - Phosphoethanolamine - Monoalkyl phosphate - Alkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - 1,3-aminoalcohol - 1,2-diol - 1,2-aminoalcohol - Secondary alcohol - Organopnictogen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group.
• External Descriptors: Sphingoid base 1-phosphates

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

Objetivos asociados (humanos)

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)

Propiedades químicas y físicas

• Punto de fusión (°C): 135-139° C
• Peso molecular: 397.500 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 18
• Exact Mass: 397.259 Da
• Monoisotopic Mass: 397.259 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 366.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1