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Chemical structure of TAS-117

GC63210

TAS-117

Also known as 3-amino-1-methyl-3-[4-(5-phenyl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-4-yl)phenyl]cyclobutan-1-ol

TAS-117 is a potent, selective, orally active allosteric Akt inhibitor (with IC50s of 4·8, 1·6, and 44 nM for Akt1, 2, and 3, respectively)· TAS-117 triggers anti-myeloma activities and enhances fatal endoplasmic reticulum (ER) stress induced by proteasome inhibition· TAS-117 induces apoptosis and autophagy

ChemicalCAS1402602-94-1MW424.49FormulaC26H24N4O2
CAS number
1402602-94-1
Molecular weight
424.49
Formula
C26H24N4O2
InChIKey
AIFGVDXMHWGOGJ-UHFFFAOYSA-N
Catalogue number
GC63210
Brand
GLPBIO
Computed properties PubChem CID 66555816 · XLogP 2.5 · TPSA 86.2 Ų · H-bond donors 2
XLogP
2.5
TPSA
86.2 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
32

SMILES CC1(CC(C1)(C2=CC=C(C=C2)C3=C(N4COC5=C(C4=N3)C=NC=C5)C6=CC=CC=C6)N)O

Computed descriptors from PubChem (CID 66555816), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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