Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors
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Graphical abstract
Abbreviations
AcOH
acetic acid
Ang I
angiotensin I
Ang II
angiotensin II
AUC
area under the blood concentration–time curve
C5min
concentration in plasma 5 min after administration
CLtotal
total clearance
Cmax
maximum concentration in plasma
DIEA
N,N-diisopropylethylamine
Et3N
triethylamine
EtOAc
ethyl acetate
EtOH
ethanol
F
rat bioavailability
HAC
heavy atom count
HOBt
1-hydroxybenzotriazole hydrate
hPRA
human plasma renin activity
i-PrOH
isopropanol
LE
ligand efficiency
MeOH
methanol
MRT
mean residence time
Pd/C
palladium on carbon
RAAS
renin-angiotensin-aldosterone system
Rt
retention time
Vd(ss)
volume of distribution at steady state
WSC
(1-[3-(dimethylamino)propyl]-3-ethylcarbodiimide
Keywords
Renin inhibitor
Structure-based drug design (SBDD)
Crystal structure
N-(Piperidin-3-yl)pyrimidine-5-carboxamide
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© 2017 The Authors. Published by Elsevier Ltd.