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A-69412

CAT: 0931-T10208-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T10208-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123606-23-5
Target
Lipoxygenase
Related Pathways
Metabolism
Purity
0.9989
Bioactivity
A-69412 (N-1- (Fur-3-ylethyl) -N-hydroxyurea) is a reversible, specific inhibitor of the hydrophilic 5-lipoxygenase. It has the potential to treat ulcerative colitis and asthma, and possibly other inflammatory and allergic conditions.
Smiles
C(N(C(N)=O)O)(C)C=1C=COC1
Molecular Formula
C7H10N2O3
Molecular Weight
170.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-1-(Fur-3-ylethyl)-N-hydroxyurea

a 5-lipoxygenase inhibitor; structure given in first source

CAS Number123606-23-5
PubChem CID130007
IUPAC Name1-[1-(furan-3-yl)ethyl]-1-hydroxyurea
Molecular FormulaC7H10N2O3
Molecular Weight170.17
XLogP-0.4
Topological Polar Surface Area79.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity174
SMILES
CC(C1=COC=C1)N(C(=O)N)O
InChI
InChI=1S/C7H10N2O3/c1-5(9(11)7(8)10)6-2-3-12-4-6/h2-5,11H,1H3,(H2,8,10)
InChIKey
PEYZZHBZAUNXCI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-1-(Fur-3-ylethyl)-N-hydroxyurea
CAS: 123606-23-5
CID: 130007
Formula: C7H10N2O3
MW: 170.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.17
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass170.06914219
Monoisotopic Mass170.06914219
Topological Polar Surface Area79.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity174
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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Alternative Products

CatalogName
BA7936-1A-69412
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A19417-10A-69412 10mg
A19417-500A-69412 500mg
A19417-5A-69412 5mg
A19417-50A-69412 50mg
A19417-25A-69412 25mg
A19417-1A-69412 1mg
A19417-10mM-DA-69412 10mM * 1mL in DMSO

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