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Chemical structure of Binodenoson

GC64647

Binodenoson

Also known as (2R,3R,4S,5R)-2-[6-amino-2-[2-(cyclohexylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Binodenoson (MRE-0470) is a potent and selective A2A adenosine receptor agonist (KD=270 nM)

ChemicalCAS144348-08-3MW391.42FormulaC17H25N7O4
CAS number
144348-08-3
Molecular weight
391.42
Formula
C17H25N7O4
Solubility
DMSO : 125 mg/mL (319·35 mM; Need ultrasonic)
InChIKey
XJFMHMFFBSOEPR-XNIJJKJLSA-N
Catalogue number
GC64647
Brand
GLPBIO
Computed properties PubChem CID 132624 · XLogP 1.3 · TPSA 164 Ų · H-bond donors 5
XLogP
1.3
TPSA
164 Ų
H-bond donors
5
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
28

SMILES C1CCC(CC1)C=NNC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N

Computed descriptors from PubChem (CID 132624), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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