PSB-416 - Moligand™ , Antagonist of P2Y 2 receptor, CAS No.P612992, Antagonist of P2Y 2 receptor

CAS: P612992 Cat. No.: P612992 PubChem CID: 108643

QUALITÉ & PURETÉ Moligand™

Synonyms

1-Amino-9,10-dihydro-4-((4-methoxyphenyl)amino)-9,10-dioxoanthracene-2-sulphonic acid | EINECS 259-402-1 | 1-amino-4-(4-methoxyanilino)-9,10-dioxoanthracene-2-sulfonic acid | GTPL9468 | SCHEMBL13214092 | SB-416 | 2-Anthracenesulfonic acid, 1-amino-9,10-di

Storage

Room temperature

Spécifications

Synonymes

1-Amino-9,10-dihydro-4-((4-methoxyphenyl)amino)-9,10-dioxoanthracene-2-sulphonic acid | EINECS 259-402-1 | 1-amino-4-(4-methoxyanilino)-9,10-dioxoanthracene-2-sulfonic acid | GTPL9468 | SCHEMBL13214092 | SB-416 | 2-Anthracenesulfonic acid, 1-amino-9,10-di

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of P2Y 2 receptor

Noms et identifiants

Sourires canoniques

COc1ccc(cc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O

IUPAC Name

1-amino-4-(4-methoxyanilino)-9,10-dioxoanthracene-2-sulfonic acid

InChIKey

MURCBJRRFKMCAT-UHFFFAOYSA-N

INCHI

1S/C21H16N2O6S/c1-29-12-8-6-11(7-9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)

Isomères SMILES

COC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

PubChem CID

108643

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: 1-sulfo,2-unsubstituted aromatic compounds Aminophenyl ethers Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Aryl ketones Alkyl aryl ethers Vinylogous amides Sulfonyls Organosulfonic acids Secondary amines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Aminophenyl ether - Arylsulfonic acid or derivatives - Methoxyaniline - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Aryl ketone - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Vinylogous amide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Ketone - Ether - Secondary amine - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic homopolycyclic 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

Cibles associées (humaines)

P2RY2 Tclin P2Y purinoceptor 2 (1 Activities)

Discover Target: P2RY2

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

Propriétés chimiques et physiques

• Poids moléculaire: 424.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 424.073 Da
• Monoisotopic Mass: 424.073 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 773.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

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.

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

The CAS Number is P612992. InChIKey MURCBJRRFKMCAT-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.