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A 78773

CAT: 0931-T26447-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26447-02Size:50 mg
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CAS Number
141579-67-1
Target
Others, Lipoxygenase
Related Pathways
Metabolism, Others
Bioactivity
A 78773 is a potent, selective, direct, and reversible 5-lipoxygenase inhibitor. It has activity in a variety of purified cells and in more complex biological systems such as whole blood, lung fragments, and tracheal tissues. A 78773 acts against inflammation and allergy, edema, inflammatory cell influx, and bronchospasm. It may treat asthma and inflammatory bowel disease.
Smiles
O(C=1OC(C#CC(N(C(N)=O)O)C)=CC1)C2=CC=C(F)C=C2
Molecular Formula
C15H13FN2O4
Molecular Weight
304.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(3-(5-(4-Fluorophenoxy)-2-furanyl)-1-methyl-2-propyn-1-yl)-N-hydroxyurea

a 5-lipoxygenase inhibitor

CAS Number141579-67-1
PubChem CID71460
IUPAC Name1-[4-[5-(4-fluorophenoxy)furan-2-yl]but-3-yn-2-yl]-1-hydroxyurea
Molecular FormulaC15H13FN2O4
Molecular Weight304.27
XLogP2
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity453
SMILES
CC(C#CC1=CC=C(O1)OC2=CC=C(C=C2)F)N(C(=O)N)O
InChI
InChI=1S/C15H13FN2O4/c1-10(18(20)15(17)19)2-5-12-8-9-14(21-12)22-13-6-3-11(16)4-7-13/h3-4,6-10,20H,1H3,(H2,17,19)
InChIKey
OLZHFFKRBCZHHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-(5-(4-Fluorophenoxy)-2-furanyl)-1-methyl-2-propyn-1-yl)-N-hydroxyurea
CAS: 141579-67-1
CID: 71460
Formula: C15H13FN2O4
MW: 304.27
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.27
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass304.08593506
Monoisotopic Mass304.08593506
Topological Polar Surface Area88.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity453
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

Alternative Products

CatalogName
MBS5776182A 78773
HY-120606A-78773

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