KT5823, inhibitor of PKG

Key facts

CAS number

126643-37-6

Purity

>95%

Form

Solid

form

Molecular weight

495.5 Da

Molecular formula

C₂₉H₂₅N₃O₅

PubChem

108152

Nature

Synthetic

Solubility

Soluble in ethanol

Soluble in DMSO

Biochemical name

Unii-WY40bab02W

Biological description

Potent, selective, reversible inhibitor of Protein Kinase G (PKG) (K_i = 234 nM). Derivative of K252, selective over PKA and PKC (K_i values are >10 and 4 μM, respectively). Prevents increased phosphorylation of regulators of G-protein-signalling in vivo.

Canonical smiles

CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CN(C6=O)C)(C(=O)OC)OC

Isomeric smiles

C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CN(C6=O)C)(C(=O)OC)OC

InChi

InChI=1S/C29H25N3O5/c1-28-29(36-4,27(34)35-3)13-20(37-28)31-18-11-7-5-9-15(18)22-23-17(14-30(2)26(23)33)21-16-10-6-8-12-19(16)32(28)25(21)24(22)31/h5-12,20H,13-14H2,1-4H3/t20-,28+,29+/m1/s1

InChiKey

QTYMDECKVKSGSM-YMUMJAELSA-N

IUPAC Name

methyl (15S,16R,18R)-16-methoxy-4,15-dimethyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate