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Chemical structure of KKII5

GC69335

KKII5

Also known as 4,6-diphenyl-3,4-dihydro-1H-pyrimidine-2-thione

KKII5 is an effective lipoxygenase LOX-1 inhibitor with an IC50 of 19 μM· KKII5 inhibits lipid peroxidation

ChemicalCAS6381-55-1MW266.36FormulaC16H14N2S
CAS number
6381-55-1
Molecular weight
266.36
Formula
C16H14N2S
Solubility
DMSO ： 100 mg/mL (375·43 mM; Need ultrasonic)
InChIKey
HFRXOUDZIXBXEH-UHFFFAOYSA-N
Catalogue number
GC69335
Brand
GLPBIO
Computed properties PubChem CID 2725891 · XLogP 3.3 · TPSA 56.2 Ų · H-bond donors 2
XLogP
3.3
TPSA
56.2 Ų
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
19

SMILES C1=CC=C(C=C1)C2C=C(NC(=S)N2)C3=CC=CC=C3

Computed descriptors from PubChem (CID 2725891), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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