MRS2496 - Moligand™ , Antagonist of P2Y 1 receptor, CAS No.491611-67-7, Antagonist of P2Y 1 receptor

CAS: 491611-67-7 Cat. No.: M612048 PubChem CID: 10894633

GRADE & PURITY Moligand™

Synonyms

MRS-2496

Storage

Room temperature

Specifications

Synonyms

MRS-2496

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of P2Y 1 receptor

Names and Identifiers

• Canonical Smiles: CNc1nc(Cl)nc2c1ncn2CC(CP(=O)(O)O)CP(=O)(O)O
• IUPAC Name: [2-[(2-chloro-6-methylaminopurin-9-yl)methyl]-3-phosphonopropyl]phosphonic acid
• InChIKey: FFBIISIICFTESN-UHFFFAOYSA-N
• INCHI: 1S/C10H16ClN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)
• Isomeric SMILES: CNC1=C2C(=NC(=N1)Cl)N(C=N2)CC(CP(=O)(O)O)CP(=O)(O)O
• PubChem CID: 10894633

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives
        • Level5 6-aminopurines
          • Level6 6-alkylaminopurines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: 6-aminopurines
• Direct Parent: 6-alkylaminopurines
• Alternative Parents: Aminopyrimidines and derivatives 2-halopyrimidines N-substituted imidazoles Imidolactams Aryl chlorides Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Organophosphorus compounds Organochlorides Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-alkylaminopurine - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Pyrimidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Organophosphonic acid - Organophosphonic acid derivative - Azacycle - Organohalogen compound - Organonitrogen compound - Organophosphorus compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 6-alkylaminopurines. These are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• 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)

P2RY1 Tchem P2Y purinoceptor 1 (2 Activities)

Discover Target: P2RY1

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

P2RY1 Tchem Purinergic receptor P2Y1 (1327 Activities)

Discover Target: P2RY1

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

Mechanisms of Action