GRADE & PURITY ≥98%

Synonyms

9H-Purin-6-amine, 8-ethoxy-9-ethyl- | SCHEMBL15689328 | ANR94 | ANR-94 | HY-103162 | MS-23133 | 8-Ethoxy-9-ethyl-9H-purin-6-amine | A918056 | NCGC00387128-01 | DTXSID30473127 | 8-ETHOXY-9-ETHYLPURIN-6-AMINE | 8-ethoxy-9-ethyladenine | 9H-Purin-6-amine,8-e

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

9H-Purin-6-amine, 8-ethoxy-9-ethyl- | SCHEMBL15689328 | ANR94 | ANR-94 | HY-103162 | MS-23133 | 8-Ethoxy-9-ethyl-9H-purin-6-amine | A918056 | NCGC00387128-01 | DTXSID30473127 | 8-ETHOXY-9-ETHYLPURIN-6-AMINE | 8-ethoxy-9-ethyladenine | 9H-Purin-6-amine, 8-e

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Adenosine A2Areceptor (AA2AR) antagonist (Kivalues are 643 and 46 nM for rat and human AA2ARs respectively). Most active AA2AR antagonist for human receptors. Displays activity in the treatment of Parkinson's diseasein vivo; improves parkinsonian motor de

Storage

Room temperature

Shipped In

Normal

Action Type

ANTAGONIST

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197750
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197750
• Canonical Smiles: CCN1C2=NC=NC(=C2N=C1OCC)N
• IUPAC Name: 8-ethoxy-9-ethylpurin-6-amine
• InChIKey: QUGDTMONBLMLLD-UHFFFAOYSA-N
• INCHI: 1S/C9H13N5O/c1-3-14-8-6(7(10)11-5-12-8)13-9(14)15-4-2/h5H,3-4H2,1-2H3,(H2,10,11,12)
• Isomeric SMILES: CCN1C2=NC=NC(=C2N=C1OCC)N
• Molecular Weight: 207.23
• Reaxy-Rn: 9556468
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9556468&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Aminopyrimidines and derivatives Alkyl aryl ethers N-substituted imidazoles Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Alkyl aryl ether - Aminopyrimidine - Imidolactam - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Azacycle - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. 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(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 10.36, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 20.72, Max Conc. mM: 100
• Molecular Weight: 207.230 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 207.112 Da
• Monoisotopic Mass: 207.112 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 215.000
• 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