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Chemical structure of K-604 dihydrochloride

GC32488

K-604 dihydrochloride

Also known as 2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide;dihydrochloride

K-604 dihydrochloride is a potent and selective acyl-CoA:cholesterol acyltransferase 1 (ACAT-1) inhibitor with an IC50 of 0·45±0·06 μM

ChemicalCAS217094-32-1MW575.64FormulaC23H32Cl2N6OS3
CAS number
217094-32-1
Molecular weight
575.64
Formula
C23H32Cl2N6OS3
Solubility
DMSO： 62·5 mg/mL (108·57 mM)
InChIKey
DEKWEGUBUYKTAV-UHFFFAOYSA-N
Catalogue number
GC32488
Brand
GLPBIO
Computed properties PubChem CID 22272715 · TPSA 153 Ų · H-bond donors 4 · H-bond acceptors 8
TPSA
153 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
35

SMILES CC1=CC(=C(C(=N1)SC)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4N3)SC.Cl.Cl

Computed descriptors from PubChem (CID 22272715), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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