WRC-0571 - Moligand™ , Antagonist of A 1 receptor, CAS No.W614875, Antagonist of A 1 receptor

CAS: W614875 Cat. No.: W614875 PubChem CID: 91827359

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of A 1 receptor

Names and Identifiers

Canonical Smiles

OC1CC2CC1C[C@H]2Nc1ncnc2c1nc(n2C)N(C(C)C)C

IUPAC Name

5-[[9-methyl-8-[methyl(propan-2-yl)amino]purin-6-yl]amino]bicyclo[2.2.1]heptan-2-ol

InChIKey

FTVZUYADPTUEKI-AYNROABZSA-N

INCHI

1S/C17H26N6O/c1-9(2)22(3)17-21-14-15(18-8-19-16(14)23(17)4)20-12-6-11-5-10(12)7-13(11)24/h8-13,24H,5-7H2,1-4H3,(H,18,19,20)/t10?,11?,12-,13?/m1/s1

Isomeric SMILES

CC(C)N(C)C1=NC2=C(N=CN=C2N1C)N[C@@H]3CC4CC3CC4O

PubChem CID

91827359

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: Aromatic monoterpenoids Dialkylarylamines Secondary alkylarylamines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Aminoimidazoles Heteroaromatic compounds Secondary alcohols Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-alkylaminopurine - Norbornane monoterpenoid - Monoterpenoid - Aromatic monoterpenoid - Dialkylarylamine - Secondary aliphatic/aromatic amine - Aminopyrimidine - Imidolactam - Pyrimidine - N-substituted imidazole - Aminoimidazole - Heteroaromatic compound - Imidazole - Cyclic alcohol - Azole - Secondary alcohol - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - 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)

ADORA1 Tclin Adenosine receptor A1 (1 Activities)

Discover Target: ADORA1

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