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COX/5-LO-IN-1

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Description
COX/5-LO-IN-1 (Atreleuton analog) is an inhibitor of cylooxygenase (COX) and lipoxygenase 5-LOX , used for the research of inflammatory and allergic disease states.
CAS Number
154355-75-6
Product Name Alternative
Atreleuton analog
UNSPSC
12352005
Target
COX; Lipoxygenase
Type
Reference compound
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/Urea,_N-[3-[5-[_4-fluorophenyl_methyl]-2-thienyl]-1-methyl-2-propyn-1-yl]-N-hydroxy-.html
Solubility
10 mM in DMSO
Smiles
O=C(N)N(C(C)C#CC1=CC=C(CC2=CC=C(F)C=C2)S1)O
Molecular Formula
C16H15FN2O2S
Molecular Weight
318.37
References & Citations
[1]Lipoxygenase and cyclooxygenase inhibiting compounds. US 5516789 A|[2]Brooks CD, et al. (R) - (+) -N-[3-[5-[ (4-fluorophenyl) methyl]-2-thienyl]-1-methyl- 2-propynyl]-N-hydroxyurea (ABT-761), a second-generation 5-lipoxygenase inhibitor. J Med Chem. 1995 Nov 24;38 (24) :4768-75.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
5-LOX; COX

Chemical Information

Cox/5-LO-IN-1
CAS Number154355-75-6
PubChem CID9883481
IUPAC Name1-[4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-1-hydroxyurea
Molecular FormulaC16H15FN2O2S
Molecular Weight318.4
XLogP2.7
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity454
SMILES
CC(C#CC1=CC=C(S1)CC2=CC=C(C=C2)F)N(C(=O)N)O
InChI
InChI=1S/C16H15FN2O2S/c1-11(19(21)16(18)20)2-7-14-8-9-15(22-14)10-12-3-5-13(17)6-4-12/h3-6,8-9,11,21H,10H2,1H3,(H2,18,20)
InChIKey
MMSNEKOTSJRTRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cox/5-LO-IN-1
CAS: 154355-75-6
CID: 9883481
Formula: C16H15FN2O2S
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass318.08382706
Monoisotopic Mass318.08382706
Topological Polar Surface Area94.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-162167COX-1-IN-1
HY-179509COX-2/5-LOX-IN-5
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HY-170412Cox B-IN-1

Alternative Products

CatalogName
T13263-01COX/5-LO-IN-1
GTR19274811-01COX-1-IN-5
303914-015-LO
GTR19187839-01COX/5-LOX-IN-1
GTR19230416-01COX-1/2-IN-5
sc-5181755-LO (A-9)
B0769-015-LO Antibody
0529585-LO (5-Lipoxygenase)
341629-015-LO discontinued
sc-1361955-LO (33)

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