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Chemical structure of UK 432097

GB40400

UK 432097

Also known as 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide

Potent and selective A2A-adenosine receptor agonist; agent developed by Pfizer for chronic obstructive pulmonary disease (category Allergy/Respiratory); its high selectivity has made it useful for detailed mapping of the internal structure of the A2A receptor·Expert recommendation - a highly recommended tool in research of A2A receptor

ChemicalCAS380221-63-6MW777.87FormulaC40H47N11O6
CAS number
380221-63-6
Molecular weight
777.87
Formula
C40H47N11O6
InChIKey
ZOTHAEBAWXWVID-HXEFRTELSA-N
Catalogue number
GB40400
Brand
GLPBIO
Computed properties PubChem CID 9833519 · XLogP 2.9 · TPSA 221 Ų · H-bond donors 7
XLogP
2.9
TPSA
221 Ų
H-bond donors
7
H-bond acceptors
12
Rotatable bonds
14
Heavy atoms
57

SMILES CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C(=O)NCCNC(=O)NC4CCN(CC4)C5=CC=CC=N5)NCC(C6=CC=CC=C6)C7=CC=CC=C7)O)O

Computed descriptors from PubChem (CID 9833519), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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