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5-Lipoxygenase-In-1

CAT: 0013-GTR19206621-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206621-01Size:25 mg
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Description
5-Lipoxygenase-In-1 (Example 4.10) is a potent and selective inhibitor of the 5-lipoxygenase (5-LOX) enzyme. This compound is a valuable research tool for investigating the leukotriene pathway in models of inflammation, asthma, and related disorders, both in vitro and in vivo.
CAS Number
125235-15-6
Field of Research
Metabolism Research
Smiles
CCN1C (=S) N (C (=O) C1 (C) C) c1ccc (cc1) N1CCN (CC1) c1ccc (O) cc1
Molecular Formula
C23H28N4O2S
Molecular Weight
424.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

R 68151
CAS Number125235-15-6
PubChem CID132150
IUPAC Name1-ethyl-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
Molecular FormulaC23H28N4O2S
Molecular Weight424.6
XLogP3.8
Topological Polar Surface Area82.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity633
SMILES
CCN1C(=S)N(C(=O)C1(C)C)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O
InChI
InChI=1S/C23H28N4O2S/c1-4-26-22(30)27(21(29)23(26,2)3)19-7-5-17(6-8-19)24-13-15-25(16-14-24)18-9-11-20(28)12-10-18/h5-12,28H,4,13-16H2,1-3H3
InChIKey
AHWDHLCCXRVAIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of R 68151
CAS: 125235-15-6
CID: 132150
Formula: C23H28N4O2S
MW: 424.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.6
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass424.19329732
Monoisotopic Mass424.19329732
Topological Polar Surface Area82.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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