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

CAS: 55476-47-6 Cat. No.: P646739 Molecular Weight: 337.39 EC Number: 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

Overview

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

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

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ANTAGONIST

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3OC4=CC=CC=C42
• WGK Germany: 3
• PubChem CID: 2320735
• Molecular Weight: 337.39

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 25 mg/mL (74.10 mM; Need ultrasonic)
• Molecular Weight: 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