KN-93 (water soluble), CaMK II inhibitor

Key facts

CAS number

1188890-41-6

Purity

>99%

Form

Solid

form

Molecular weight

599 Da

Molecular formula

C₂₆H₃₂ClN₂O₈PS

PubChem

16760530

Nature

Synthetic

Solubility

Soluble in water to 100 mM

Soluble in DMSO to 100 mM

Biochemical name

KN-93 Phosphate

Biological description

Potent, specific and cell-permeable calmodulin-dependent protein kinase (CaMK) II inhibitor (IC₅₀ = 370 nM). Also a potent and direct extracellular open channel voltage-gated potassium channel blocker (IC₅₀ = 307 nM for Kv1.5); independent of CaM kinase II inhibition. Water soluble.

Canonical smiles

CN(CC=CC1=CC=C(C=C1)Cl)CC2=CC=CC=C2N(CCO)S(=O)(=O)C3=CC=C(C=C3)OC.OP(=O)(O)O

Isomeric smiles

CN(C/C=C/C1=CC=C(C=C1)Cl)CC2=CC=CC=C2N(CCO)S(=O)(=O)C3=CC=C(C=C3)OC.OP(=O)(O)O

InChi

InChI=1S/C26H29ClN2O4S.H3O4P/c1-28(17-5-6-21-9-11-23(27)12-10-21)20-22-7-3-4-8-26(22)29(18-19-30)34(31,32)25-15-13-24(33-2)14-16-25;1-5(2,3)4/h3-16,30H,17-20H2,1-2H3;(H3,1,2,3,4)/b6-5+;

InChiKey

NNKJTPOXLIILMB-IPZCTEOASA-N

IUPAC Name

N-[2-[[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide;phosphoric acid