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Chemical structure of Ruboxistaurin

GC63177

Ruboxistaurin

Also known as (18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione

Ruboxistaurin (LY333531) is an orally active, selective PKC beta inhibitor (Ki=2 nM)

ChemicalCAS169939-94-0MW468.55FormulaC28H28N4O3
CAS number
169939-94-0
Molecular weight
468.55
Formula
C28H28N4O3
Solubility
DMSO ： 50 mg/mL (106·71 mM; ultrasonic and warming and heat to 60°C)
InChIKey
ZCBUQCWBWNUWSU-SFHVURJKSA-N
Catalogue number
GC63177
Brand
GLPBIO
Computed properties PubChem CID 153999 · XLogP 2.7 · TPSA 68.5 Ų · H-bond donors 1
XLogP
2.7
TPSA
68.5 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
35

SMILES CN(C)C[C@@H]1CCN2C=C(C3=CC=CC=C32)C4=C(C5=CN(CCO1)C6=CC=CC=C65)C(=O)NC4=O

Computed descriptors from PubChem (CID 153999), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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