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Chemical structure of PKCβ inhibitor 1

GC61995

PKCβ inhibitor 1

Also known as 3-anilino-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione

PKCβ inhibitor 1 is a potent, ATP-competitive, and selective PKCβ inhibitor with IC50s of 21 and 5 nM for human PKCβ1 and PKCβ2, respectively· PKCβ inhibitor 1 exhibits selectivity of more than 60-fold in favor of PKCβ2 relative to other PKC isozymes (PKCα, PKCγ, and PKCε)

ChemicalCAS257879-35-9MW411.46FormulaC24H21N5O2
CAS number
257879-35-9
Molecular weight
411.46
Formula
C24H21N5O2
Solubility
DMSO ： 250 mg/mL (607·59 mM)
InChIKey
KIWODJBCHRADND-UHFFFAOYSA-N
Catalogue number
GC61995
Brand
GLPBIO
Computed properties PubChem CID 6419755 · XLogP 2.8 · TPSA 81 Ų · H-bond donors 2
XLogP
2.8
TPSA
81 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31

SMILES C1=CC=C(C=C1)NC2=C(C(=O)NC2=O)C3=CN(C4=CC=CC=C43)CCCN5C=CN=C5

Computed descriptors from PubChem (CID 6419755), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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