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ALOX15-IN-2

CAT: 0931-T62606-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T62606-01Size:1 mg
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CAS Number
2764818-23-5
Target
Lipoxygenase
Related Pathways
Metabolism
Purity
0.9998
Bioactivity
ALOX15-IN-2 is a potent inhibitor of ALOX15 linoleate oxygenase activity, inhibiting the oxidation of linoleic acid (LA) and arachidonic acid (AA), the immediate homologs of ALOX15, with IC50s of 1.55 and 2.79 μM, respectively.
Smiles
N(S(NC(OCCCCCCCC)=O)(=O)=O)C=1C=C(C2=CC=3C(N2)=CC=CC3)C=CC1
Molecular Formula
C23H29N3O4S
Molecular Weight
443.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Alox15-IN-2
CAS Number2764818-23-5
PubChem CID163322030
IUPAC Nameoctyl N-[[3-(1H-indol-2-yl)phenyl]sulfamoyl]carbamate
Molecular FormulaC23H29N3O4S
Molecular Weight443.6
XLogP6.6
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count31
Formal Charge0
Complexity652
SMILES
CCCCCCCCOC(=O)NS(=O)(=O)NC1=CC=CC(=C1)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C23H29N3O4S/c1-2-3-4-5-6-9-15-30-23(27)26-31(28,29)25-20-13-10-12-18(16-20)22-17-19-11-7-8-14-21(19)24-22/h7-8,10-14,16-17,24-25H,2-6,9,15H2,1H3,(H,26,27)
InChIKey
LKGGPLHYSWLQPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alox15-IN-2
CAS: 2764818-23-5
CID: 163322030
Formula: C23H29N3O4S
MW: 443.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight443.6
XLogP36.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass443.18787759
Monoisotopic Mass443.18787759
Topological Polar Surface Area109 Ų
Heavy Atom Count31
Formal Charge0
Complexity652
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