PSB-10211 - Moligand™ , Antagonist of P2X2, CAS No.P612983, Antagonist of P2X2

CAS: P612983 Cat. No.: P612983 PubChem CID: 53308119

GRADE & PURITY Moligand™

Synonyms

compound 63

Storage

Room temperature

Specifications

Synonyms

compound 63

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of P2X2

Names and Identifiers

• Canonical Smiles: Clc1nc(Nc2cccc(c2)Nc2cc(c(c3c2C(=O)c2ccccc2C3=O)N)S(=O)(=O)O)nc(n1)Cl
• IUPAC Name: 1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]anilino]-9,10-dioxoanthracene-2-sulfonic acid
• InChIKey: BLCUJFVIEUPNOP-UHFFFAOYSA-N
• INCHI: 1S/C23H14Cl2N6O5S/c24-21-29-22(25)31-23(30-21)28-11-5-3-4-10(8-11)27-14-9-15(37(34,35)36)18(26)17-16(14)19(32)12-6-1-2-7-13(12)20(17)33/h1-9,27H,26H2,(H,34,35,36)(H,28,29,30,31)
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)NC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)O)N
• PubChem CID: 53308119

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Aryl ketones Aminotriazines Chloro-s-triazines Aryl chlorides Primary aromatic amines Heteroaromatic compounds Organosulfonic acids Sulfonyls Vinylogous amides Azacyclic compounds Secondary amines Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aryl ketone - Aniline or substituted anilines - Amino-1,3,5-triazine - Chloro-s-triazine - Halo-s-triazine - Aminotriazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Primary aromatic amine - Triazine - 1,3,5-triazine - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Sulfonyl - Heteroaromatic compound - Ketone - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxide - Organohalogen compound - Organochloride - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• 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)

P2RX2 Tchem P2X purinoceptor 2 (1 Activities)

Discover Target: P2RX2

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