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N6-Ethyladenosine

CAT: 0804-HY-111809-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-111809-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
N6-Ethyladenosine is an adenosine derivative, acts as a Adenosine receptor agonist, with Kis of 4.9 and 4.7 nM for hA1AR and hA3AR, respectively[1].
CAS Number
14357-08-5
UNSPSC
12352005
Target
Adenosine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/n6-ethyladenosine.html
Purity
99.90
Solubility
DMSO : ≥ 83.33 mg/mL
Smiles
O[C@H]1[C@@H](O)[C@H](N(C=N2)C3=C2C(NCC)=NC=N3)O[C@@H]1CO
Molecular Formula
C12H17N5O4
Molecular Weight
295.29
References & Citations
[1]Kimand SK, et al. Three-dimensional quantitative structure-activity relationship of nucleosides acting at the A3 adenosine receptor: analysis of binding and relative efficacy. J Chem Inf Model. 2007 May-Jun;47 (3) :1225-33. Epub 2007 Mar 6.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

n6-Ethyladenosine
CAS Number14357-08-5
PubChem CID15160100
IUPAC Name(2R,3R,4S,5R)-2-[6-(ethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC12H17N5O4
Molecular Weight295.29
XLogP0
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity363
SMILES
CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C12H17N5O4/c1-2-13-10-7-11(15-4-14-10)17(5-16-7)12-9(20)8(19)6(3-18)21-12/h4-6,8-9,12,18-20H,2-3H2,1H3,(H,13,14,15)/t6-,8-,9-,12-/m1/s1
InChIKey
SHXVYOLWYFZWKE-WOUKDFQISA-N
Chemical Structure
2D Structure
2D structure of n6-Ethyladenosine
CAS: 14357-08-5
CID: 15160100
Formula: C12H17N5O4
MW: 295.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.29
XLogP30
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass295.12805404
Monoisotopic Mass295.12805404
Topological Polar Surface Area126 Ų
Heavy Atom Count21
Formal Charge0
Complexity363
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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