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Chemical structure of Sotrastaurin

GC15520

Sotrastaurin

Also listed as Sotrastaurin (AEB071)

Sotrastaurin (AEB071) (AEB071) is a potent and orally-active pan-PKC inhibitor, with Kis of 0·22 nM, 0·64 nM, 0·95 nM, 1·8 nM, 2·1 nM and 3·2 nM for PKCθ, PKCβ, PKCα, PKCη, PKCδ and PKCε, respectively

ChemicalCAS425637-18-9MW438.48FormulaC25H22N6O2
CAS number
425637-18-9
Molecular weight
438.48
Formula
C25H22N6O2
Solubility
≥ 21·9mg/mL in DMSO
InChIKey
OAVGBZOFDPFGPJ-UHFFFAOYSA-N
Catalogue number
GC15520
Brand
GLPBIO
Computed properties PubChem CID 10296883 · XLogP 2.6 · TPSA 94.2 Ų · H-bond donors 2
XLogP
2.6
TPSA
94.2 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
33

SMILES CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

Computed descriptors from PubChem (CID 10296883), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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