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Chemical structure of PKI-179

GC62140

PKI-179

Also known as 1-[4-[4-morpholin-4-yl-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea

PKI-179 is a potent and orally active dual PI3K/mTOR inhibitor, with IC50s of 8 nM, 24 nM, 74 nM, 77 nM, and 0·42 nM for PI3K-α, PI3K-β, PI3K-γ, PI3K-δ and mTOR, respectively· PKI-179 also exhibits activity over E545K and H1047R, with IC50s of 14 nM and 11 nM, respectively· PKI-179 shows anti-tumor activity in vivo

ChemicalCAS1197160-28-3MW488.54FormulaC25H28N8O3
CAS number
1197160-28-3
Molecular weight
488.54
Formula
C25H28N8O3
InChIKey
WXUUCRLKXQMWRY-UHFFFAOYSA-N
Catalogue number
GC62140
Brand
GLPBIO
Computed properties PubChem CID 46947264 · XLogP 1.9 · TPSA 118 Ų · H-bond donors 2
XLogP
1.9
TPSA
118 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
36

SMILES C1CC2COCC1N2C3=NC(=NC(=N3)N4CCOCC4)C5=CC=C(C=C5)NC(=O)NC6=CC=NC=C6

Computed descriptors from PubChem (CID 46947264), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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