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Chemical structure of KHK-IN-1 (ketohexokinase inhibitor)

GC30367

KHK-IN-1 (ketohexokinase inhibitor)

Also known as 8-N-(cyclopropylmethyl)-4-N-(2-methylsulfanylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine

KHK-IN-1 (ketohexokinase inhibitor) is a potent ketohexokinase (KHK) inhibitor with IC50 of 12 nM; interacts with Asp-27B in the ATP-binding region of KHK

ChemicalCAS1303469-70-6MW422.55FormulaC21H26N8S
CAS number
1303469-70-6
Molecular weight
422.55
Formula
C21H26N8S
Solubility
Soluble in DMSO
InChIKey
HFLMLZKGLUEWBU-UHFFFAOYSA-N
Catalogue number
GC30367
Brand
GLPBIO
Computed properties PubChem CID 53348216 · XLogP 3.2 · TPSA 116 Ų · H-bond donors 3
XLogP
3.2
TPSA
116 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
30

SMILES CSC1=CC=CC=C1NC2=NC(=NC3=C2N=CN=C3NCC4CC4)N5CCNCC5

Computed descriptors from PubChem (CID 53348216), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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