W146 - Moligand™, ≥98%(HPLC) , Antagonist of S1P 1 receptor, CAS No.909725-61-7, Antagonist of S1P 1 receptor

CAS: 909725-61-7 Cat. No.: W287979 Formula: C₁₆H₂₇N₂O₄P Peso molecolare: 342.37 PubChem CID: 6857802

QUALITÀ & PUREZZA Moligand™, ≥98%(HPLC)

Synonyms

ML056 | W 146 | ML5 | HY-101395 | {(3r)-3-Amino-4-[(3-Hexylphenyl)amino]-4-Oxobutyl}phosphonic Acid | DTXSID50425901 | BDBM50324676 | [(3R)-3-amino-4-(3-hexylanilino)-4-oxobutyl]phosphonic acid | GTPL2931 | ML056 | (R)-(3-Amino-4-((3-hexylphenyl)amino)-4-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Product description：

W146 hydrate functions as an orthosteric antagonist. It is associated with blood lymphopenia and lung edema in mice.

Application：

W146 hydrate has been used to assess vascular permeability in mice.

Specifiche

Sinonimi

ML056 | W 146 | ML5 | HY-101395 | {(3r)-3-Amino-4-[(3-Hexylphenyl)amino]-4-Oxobutyl}phosphonic Acid | DTXSID50425901 | BDBM50324676 | [(3R)-3-amino-4-(3-hexylanilino)-4-oxobutyl]phosphonic acid | GTPL2931 | ML056 | (R)-(3-Amino-4-((3-hexylphenyl)amino)-4-

Specifiche e purezza

Moligand™, ≥98%(HPLC)

Meccanismi biochimici e fisiologici

Potent sphingosine-1-phosphate receptor S1P1selective antagonist (Ki= 18 nM); displays no effect at S1P2, S1P3or S1P5. Enhances capillary leakage and restores lymphocyte egressin vivo.Potent S1P(1) competitive antagonist; Ki = 10-77 nM.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Antagonist of S1P 1 receptor

Purezza

≥98%(HPLC)

Nomi e identificatori

Pubchem Sid

528767707

Sorrisi canonici

CCCCCCC1=CC(=CC=C1)NC(=O)C(CCP(=O)(O)O)N

IUPAC Name

[(3R)-3-amino-4-(3-hexylanilino)-4-oxobutyl]phosphonic acid

InChIKey

FWJRVGZWNDOOFH-OAHLLOKOSA-N

INCHI

1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m1/s1

Isomeri SMILES

CCCCCCC1=CC(=CC=C1)NC(=O)[C@@H](CCP(=O)(O)O)N

PubChem CID

6857802

Peso molecolare

342.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Anilides N-arylamides Fatty amides Organic phosphonic acids Secondary carboxylic acid amides Organophosphorus compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid amide - Anilide - N-arylamide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Organophosphonic acid - Organophosphonic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organophosphorus compound - Primary amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

Obiettivi associati (umani)

S1PR1 Tclin Sphingosine 1-phosphate receptor 1 (4 Activities)

Discover Target: S1PR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

S1PR4 Tclin Sphingosine 1-phosphate receptor Edg-6 (1041 Activities)

Discover Target: S1PR4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

S1PR3 Tclin Sphingosine 1-phosphate receptor Edg-3 (2543 Activities)

Discover Target: S1PR3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

S1PR2 Tchem Sphingosine 1-phosphate receptor Edg-5 (1593 Activities)

Discover Target: S1PR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)

Discover Target: S1PR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

S1PR5 Tclin Sphingosine 1-phosphate receptor Edg-8 (813 Activities)

Discover Target: S1PR5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:3eq. NaOH, Max Conc. mg/mL: 6.85, Max Conc. mM: 20
• Peso molecolare: 342.370 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 342.171 Da
• Monoisotopic Mass: 342.171 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 400.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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