PSB-12062 - Moligand™,≥99% , CAS No.55476-47-6

CAS: 55476-47-6 Cat. No.: P646739 Peso molecular: 337.39 Número EC: 803-813-6 PubChem CID: 2320735

GRADE & PURITY Moligand™, ≥99%

Synonyms

Oprea1_008733 | PSB-12062 | N-(p-Methylphenylsulfonyl)phenoxazineN-(p-Methylphenylsulfonyl)phenoxazine | 10-tosyl-10H-phenoxazine | GTPL9542 | AKOS027422597 | 10H-Phenoxazine, 10-[(4-methylphenyl)sulfonyl]- | EX-A7266 | 10-(4-methylphenyl)sulfonylphenoxaz

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

PSB-12062 is a potent and selective P2X4 antagonist with an IC 50 of 1.38 μM for human P2X4.

In Vitro

PSB-12062 shows similar potency in human, rat, and mouse species. PSB-12062 shows to be allosteric in nature with a 35-fold selectivity toward P2X4 versus P2X1, P2X2, P2X3, and P2X7. However, PSB-12062 is unable to completely block ATP-induced P2X4-mediated calcium influx even when used at high concentrations (>30 μM). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 1.38 μM (human P2X4), 92.8 nM (rat P2X4), 1.76 μM (mouse P2X4)

Specifications

Sinónimos

Oprea1_008733 | PSB-12062 | N-(p-Methylphenylsulfonyl)phenoxazineN-(p-Methylphenylsulfonyl)phenoxazine | 10-tosyl-10H-phenoxazine | GTPL9542 | AKOS027422597 | 10H-Phenoxazine, 10-[(4-methylphenyl)sulfonyl]- | EX-A7266 | 10-(4-methylphenyl)sulfonylphenoxaz

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

PSB-12062 is a potent and selective P2X4 antagonist with an IC 50 of 1.38 μM for human P2X4.

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

ANTAGONIST

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3OC4=CC=CC=C42
• IUPAC Name: 10-(4-methylphenyl)sulfonylphenoxazine
• InChIKey: DHZNMEIBMACSFH-UHFFFAOYSA-N
• INCHI: 1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3
• Isómeros SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3OC4=CC=CC=C42
• WGK Alemania: 3
• PubChem CID: 2320735
• Peso molecular: 337.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxazines
      • Subclass Phenoxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxazines
• Subclass: Phenoxazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-substituted phenoxazines
• Alternative Parents: N,N-disubstituted p-toluenesulfonamides Diarylethers Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Sulfonyls Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-substituted phenoxazine - N,n-disubstituted p-toluenesulfonamide - Diaryl ether - P-toluenesulfonamide - Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Toluene - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Oxacycle - Ether - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-substituted phenoxazines. These are phenoxyazines where the nitrogen atom is linked to an atom other than the hydrogen atom.
• 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

Objetivos asociados (humanos)

P2RX4 Tchem P2X purinoceptor 4 (5 Activities)

Discover Target: P2RX4

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

P2RX4 Tchem P2X purinoceptor 4 (516 Activities)

Discover Target: P2RX4

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

P2RX7 Tchem P2X purinoceptor 7 (5534 Activities)

Discover Target: P2RX7

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

Objetivos asociados (no humanos)

P2rx2 P2X purinoceptor 2 (106 Activities)

Discover Target: P2rx2

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

P2rx3 P2X purinoceptor 3 (632 Activities)

Discover Target: P2rx3

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 25 mg/mL (74.10 mM; Need ultrasonic)
• Peso molecular: 337.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 337.077 Da
• Monoisotopic Mass: 337.077 Da
• Topological Polar Surface Area: 55.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 513.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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