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BLX-3887

CAT: 0804-HY-138154-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138154-03Size:10 mg
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Description
BLX-3887 is a selective 15-lipoxygenase type 1 (15-LO-1) inhibitor with an IC50 of 32 nM. BLX-3887 can be utilized in research related to the 15-LO pathways[1].
CAS Number
934758-70-0
UNSPSC
12352005
Target
Lipoxygenase
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Smiles
O=C(C1=NNC(Cl)=C1Cl)NC2=CC=C(F)C=C2Cl
Molecular Formula
C10H5Cl3FN3O
Molecular Weight
308.52
References & Citations
[1]Archambault AS, et al. Comparison of eight 15-lipoxygenase (LO) inhibitors on the biosynthesis of 15-LO metabolites by human neutrophils and eosinophils. PLoS One. 2018 Aug 17;13 (8) :e0202424.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
15-LOX

Chemical Information

4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
CAS Number934758-70-0
PubChem CID16659762
IUPAC Name4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
Molecular FormulaC10H5Cl3FN3O
Molecular Weight308.5
XLogP3.7
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity323
SMILES
C1=CC(=C(C=C1F)Cl)NC(=O)C2=NNC(=C2Cl)Cl
InChI
InChI=1S/C10H5Cl3FN3O/c11-5-3-4(14)1-2-6(5)15-10(18)8-7(12)9(13)17-16-8/h1-3H,(H,15,18)(H,16,17)
InChIKey
BEVTYLZKKCIGFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
CAS: 934758-70-0
CID: 16659762
Formula: C10H5Cl3FN3O
MW: 308.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.5
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass306.948223
Monoisotopic Mass306.948223
Topological Polar Surface Area57.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity323
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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