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Chemical structure of 5-Lipoxygenase-In-1

GC31997

5-Lipoxygenase-In-1

Also known as 1-ethyl-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one

5-Lipoxygenase-In-1 is a 5-Lipoxygenase inhibitor extracted from patent EP 331232 A2, table 4, compound example 4·10

ChemicalCAS125235-15-6MW424.56FormulaC23H28N4O2S
CAS number
125235-15-6
Molecular weight
424.56
Formula
C23H28N4O2S
Solubility
DMSO： 250 mg/mL (588·84 mM)
InChIKey
AHWDHLCCXRVAIC-UHFFFAOYSA-N
Catalogue number
GC31997
Brand
GLPBIO
Computed properties PubChem CID 132150 · XLogP 3.8 · TPSA 82.4 Ų · H-bond donors 1
XLogP
3.8
TPSA
82.4 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30

SMILES CCN1C(=S)N(C(=O)C1(C)C)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O

Computed descriptors from PubChem (CID 132150), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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