KHK-IN-1 (hydrochloride)

KHK-IN-1 hydrochloride (compound 8) is a selective and cell membrane permeable ketohexokinase (KHK) inhibitor (IC50=12 nM; F=34%) . KHK-IN-1 hydrochloride inhibits the production of F1P in HepG2 cell lysates (IC>sub>50=400 nM) . KHK-IN-1 hydrochloride has potential for the study of diabetes and obesity[1].

Product Specifications

CAS Number

[1303470-48-5]

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

Ketohexokinase

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Field of Research

Metabolic Disease

Assay Protocol

https://www.medchemexpress.com/KHK-IN-1-hydrochloride.html

Purity

98.47

Solubility

DMSO : 25 mg/mL (ultrasonic) |H2O : 14.29 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

[H]Cl.CSC(C=CC=C1)=C1NC2=NC(N3CCNCC3)=NC4=C2N=CN=C4NCC5CC5

Molecular Formula

C21H27ClN8S

Molecular Weight

459.01

Precautions

H302, H315, H319, H335

References & Citations

[1]Maryanoff BE, et al. Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site. ACS Med Chem Lett. 2011 Apr 18;2 (7) :538-43.