PSB-12062 - Moligand™ , Antagonist of P2X4, CAS No.P612987, Antagonist of P2X4

CAS: P612987 Cat. No.: P612987 PubChem CID: 2320735

グレード＆純度 Moligand™

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

Room temperature

仕様

同義語

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

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Antagonist of P2X4

名前と識別子

カノニカル・スマイル

Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2c1cccc2

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

異性体SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3OC4=CC=CC=C42

PubChem CID

2320735

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 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

よくある質問

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is P612987. InChIKey DHZNMEIBMACSFH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.