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Chemical structure of PD 117519 (CI947)

GC30916

PD 117519 (CI947)

Also known as (2R,3R,4S,5R)-2-[6-(2,3-dihydro-1H-inden-1-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

PD 117519 (CI947) (CI947) is an A2A adenosine agonist which has shown oral antihypertensive activity in pharmacological animal models

ChemicalCAS96392-15-3MW383.4FormulaC19H21N5O4
CAS number
96392-15-3
Molecular weight
383.4
Formula
C19H21N5O4
Solubility
DMSO ： ≥ 3·9 mg/mL (10·17 mM)
InChIKey
FSKMJUWPFLDDRS-XTMLTMLVSA-N
Catalogue number
GC30916
Brand
GLPBIO
Computed properties PubChem CID 180696 · XLogP 1.5 · TPSA 126 Ų · H-bond donors 4
XLogP
1.5
TPSA
126 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
28

SMILES C1CC2=CC=CC=C2C1NC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O

Computed descriptors from PubChem (CID 180696), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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