STO-609 acetate, CaM-KK inhibitor

Key facts

CAS number

52029-86-4

Purity

>98%

Molecular weight

374.3 Da

Molecular formula

C₂₁H₁₄N₂O₅

PubChem

16760660

Nature

Synthetic

Solubility

Soluble in DMSO to 25 mM

Biochemical name

STO-609 acetate

Biological description

Potent, competitive, selective and cell-permeable inhibitor of CaM-KK (K_i values are0.21 μM and 40 nM for CaM-KKα and CaM-KKβ respectively). Potent, competitive AhR agonist (EC₅₀ = 43 nM). Active in vivo.

Canonical smiles

CC(=O)O.C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=CC5=C(C=CC3=C54)C(=O)O

InChi

InChI=1S/C19H10N2O3.C2H4O2/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18;1-2(3)4/h1-9H,(H,23,24);1H3,(H,3,4)

InChiKey

WNRSTFUVBWNELX-UHFFFAOYSA-N

IUPAC Name

acetic acid;11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxylic acid