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Chemical structure of PDE5 inhibitor 42

GB40315

PDE5 inhibitor 42

Also known as 1-[1-(2-ethoxyethyl)-3-ethyl-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperidine-4-carboxylic acid

Potent and selective phosphodiesterase type 5 (PDE5) inhibitor (IC50: 0·04 nM); PDE6/PDE5 and PDE11/PDE5 ratios to be 100x and 530x respectively; a second generation PDE5 inhibitor under investigation

ChemicalCAS936449-28-4MW453.54FormulaC23H31N7O3
CAS number
936449-28-4
Molecular weight
453.54
Formula
C23H31N7O3
InChIKey
IQZQWPRZFLHJFI-UHFFFAOYSA-N
Catalogue number
GB40315
Brand
GLPBIO
Computed properties PubChem CID 16066664 · XLogP 2.9 · TPSA 118 Ų · H-bond donors 2
XLogP
2.9
TPSA
118 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
33

SMILES CCC1=NN(C2=C1N=C(N=C2NC3=NC=CC(=C3)C)N4CCC(CC4)C(=O)O)CCOCC

Computed descriptors from PubChem (CID 16066664), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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