FTY720 Phosphate - Moligand™, ≥95% , Agonist of S1P 1 receptor;Agonist of S1P 2 receptor;Agonist of S1P 3 receptor;Agonist of S1P 4 receptor;Agonist of S1P 5 receptor, CAS No.402615-91-2, Agonist of S1P 1 receptor;Agonist of S1P 2 receptor;Agonist of S1P 3 receptor;Agonist of S1P 4 receptor;Agonist of S1P 5 receptor

CAS: 402615-91-2 Cat. No.: F333868 Formule: C₁₉H₃₄NO₅P Poids moléculaire: 387.45

QUALITÉ & PURETÉ Moligand™, ≥95%

Synonyms

2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl dihydrogen phosphate | FTY720-phosphate | Moxifloxacin [INN:BAN] | fingolimod-phosphate | RAC FTY 720 PHOSPHATE | GTPL2924 | 2- amino- 2[2- (4- octylphenyl)ethyl]- 1, 3- propanediol, mono dihydrogen phospha

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

FTY720 Phosphate is a derivative of ISP-1 (myriocin) that is a fungal metabolite of the Chinese herb|Iscaria sinclarii|and a structural analog of sphingosine. FTY720 is a novel immune modulator that prolongs allograft transplant survival in numerous models by inhibiting lymphocyte emigration from lymphoid organs. It is phosphorylated by sphingosine kinase to the physiologically active phosphoric acid ester. FTY720 phosphate acts as a potent agonist at four of the sphingosine-1-phosphate (S1P) receptors (EDG-1, EDG-3, EDG-4, and EDG-5), with IC|50|values of 0.2-6 nM.

Spécifications

Synonymes

2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl dihydrogen phosphate | FTY720-phosphate | Moxifloxacin [INN:BAN] | fingolimod-phosphate | RAC FTY 720 PHOSPHATE | GTPL2924 | 2- amino- 2[2- (4- octylphenyl)ethyl]- 1, 3- propanediol, mono dihydrogen phospha

Spécifications et pureté

Moligand™, ≥95%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of S1P 1 receptor;Agonist of S1P 2 receptor;Agonist of S1P 3 receptor;Agonist of S1P 4 receptor;Agonist of S1P 5 receptor

Pureté

≥95%

Propriétés du produit

pKa

pKa: 1.73 (Predicted), pKa: 10.04 (Predicted)

Noms et identifiants

Pubchem Sid

528764495

Sourires canoniques

CCCCCCCCC1=CC=C(C=C1)CCC(CO)(COP(=O)(O)O)N

IUPAC Name

[2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate

InChIKey

LRFKWQGGENFBFO-UHFFFAOYSA-N

INCHI

1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)

Isomères SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CO)(COP(=O)(O)O)N

Poids moléculaire

387.45

Reaxy-Rn

9732428

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9732428&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic phosphoric acids and derivatives
      • Subclass Phosphate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphoethanolamines
• Alternative Parents: Monoalkyl phosphates Aralkylamines Benzene and substituted derivatives 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phosphoethanolamine - Monoalkyl phosphate - Aralkylamine - Monocyclic benzene moiety - Alkyl phosphate - Benzenoid - 1,2-aminoalcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Primary alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phosphoethanolamines. These are compounds containing a phosphate linked to the second carbon of an ethanolamine.
• External Descriptors: primary alcohol - primary amino compound - monoalkyl phosphate

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in chloroform ( ~0.5 mg/ml).
• Indice de réfraction: n20D1.54 (Predicted)
• Point d'ébullition (°C): 584.24° C at 760 mmHg (Predicted)
• Point de fusion (°C): 90.27° C
• Poids moléculaire: 387.500 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 387.217 Da
• Monoisotopic Mass: 387.217 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 409.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1