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9-Ethyladenine

CAT: 0804-HY-119413-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-119413-01Size:100 mg
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Description
9-Ethyladenine is a precursor of competitive antagonists of adenosine receptors (A1, A2, A3), with no significant inhibitory effect on adenine phosphoribosyltransferase (APRT) . 9-Ethyladenine derivatives have high affinity and selectivity for A1 (Ki=27 nM), A2A (Ki=46 nM), and A3 (Ki=86 nM) receptors. 9-Ethyladenine does not inhibit brain APRT activity, can be used in the study of adenosine receptor-related diseases (such as nervous system diseases) models[1][2].
CAS Number
2715-68-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Adenosine Receptor
Type
Natural Products
Related Pathways
GPCR/G Protein
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/9-ethyladenine.html
Concentration
10mM
Purity
99.93
Solubility
DMSO : 62.5 mg/mL (ultrasonic) |H2O : 100 mg/mL (ultrasonic)
Smiles
NC1=C2C(N(C=N2)CC)=NC=N1
Molecular Formula
C7H9N5
Molecular Weight
163.18
Precautions
H302, H315, H319, H335
References & Citations
[1]Edamura K, et al. No self-injurious behavior was found in HPRT-deficient mice treated with 9-ethyladenine. Pharmacol Biochem Behav. 1998 Oct;61 (2) :175-9.|[2]Klotz KN, et al. 9-Ethyladenine derivatives as adenosine receptor antagonists: 2- and 8-substitution results in distinct selectivities. Naunyn Schmiedebergs Arch Pharmacol. 2003 Jun;367 (6) :629-34.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Microbial Metabolite

Chemical Information

9-Ethyladenine

1-Ethyladenine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).

CAS Number2715-68-6
PubChem CID7
IUPAC Name9-ethylpurin-6-amine
Molecular FormulaC7H9N5
Molecular Weight163.18
XLogP0.2
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity162
SMILES
CCN1C=NC2=C(N=CN=C21)N
InChI
InChI=1S/C7H9N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4H,2H2,1H3,(H2,8,9,10)
InChIKey
MUIPLRMGAXZWSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Ethyladenine
CAS: 2715-68-6
CID: 7
Formula: C7H9N5
MW: 163.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.18
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass163.08579531
Monoisotopic Mass163.08579531
Topological Polar Surface Area69.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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