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Chemical structure of KHK-IN-3

GC69331

KHK-IN-3

Also known as 2-[4-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone

KHK-IN-3 (Example 1) is a ketohexokinase (KHK) inhibitor that can be used in the research of kidney disease, non-alcoholic fatty liver disease (NASH), diabetes, and heart failure· KHK is a rate-limiting enzyme and fructokinase involved in fructose metabolism· KHK catalyzes fructose phosphate to form fructose-1-phosphate (FIP) while consuming ATP· If there is a lack of feedback inhibition in fructose metabolism, it can lead to the accumulation of downstream intermediates such as fat synthesis, gluconeogenesis, and oxidative phosphorylation

ChemicalCAS2568608-48-8MW409.41FormulaC18H22F3N7O
CAS number
2568608-48-8
Molecular weight
409.41
Formula
C18H22F3N7O
Solubility
DMSO : 100 mg/mL (244·25 mM; Need ultrasonic)
InChIKey
HAUDFIFEGDNKJX-LBPRGKRZSA-N
Catalogue number
GC69331
Brand
GLPBIO
Computed properties PubChem CID 155385439 · XLogP 1.1 · TPSA 79.2 Ų · H-bond donors 1
XLogP
1.1
TPSA
79.2 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
29

SMILES C[C@H]1CCN1C2=NC(=CC(=N2)C(F)(F)F)C3=CN(N=C3)CC(=O)N4CCNCC4

Computed descriptors from PubChem (CID 155385439), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
Quoted in ILS, excl. VAT. Add the item to your quote and we confirm the final price, usually the same business day.
Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.