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Xanthine oxidase-IN-4

CAT: 0931-T60632-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60632-01Size:25 mg
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CAS Number
2642137-96-8
Target
Xanthine Oxidase, Others
Related Pathways
Metabolism, Others
Bioactivity
Xanthine oxidase-IN-4 (compound 19a) is an orally active and potent xanthine oxidase (XO) inhibitor with an IC50 of 0.039 μM, suitable for research in hyperuricemia and gout. Xanthine oxidase-IN-4 demonstrates hypouricemic potency in potassium oxonate-induced hyperuricemia rats. [1].
Smiles
C(#N)C=1C=C(C=2N=C3C(=CN2)C(=O)NN3)C=CC1OC(C)C
Molecular Formula
C15H13N5O2
Molecular Weight
295.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Xanthine oxidase-IN-4
CAS Number2642137-96-8
PubChem CID156705020
IUPAC Name5-(3-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)-2-propan-2-yloxybenzonitrile
Molecular FormulaC15H13N5O2
Molecular Weight295.30
XLogP1.9
Topological Polar Surface Area99.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity474
SMILES
CC(C)OC1=C(C=C(C=C1)C2=NC=C3C(=N2)NNC3=O)C#N
InChI
InChI=1S/C15H13N5O2/c1-8(2)22-12-4-3-9(5-10(12)6-16)13-17-7-11-14(18-13)19-20-15(11)21/h3-5,7-8H,1-2H3,(H2,17,18,19,20,21)
InChIKey
LBJXVRNULAGYQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Xanthine oxidase-IN-4
CAS: 2642137-96-8
CID: 156705020
Formula: C15H13N5O2
MW: 295.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.30
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass295.10692467
Monoisotopic Mass295.10692467
Topological Polar Surface Area99.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity474
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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Alternative Products

CatalogName
HY-144303Xanthine oxidase-IN-4
MBS8565886-01Xanthine Oxidase
X0980-01Xanthine Oxidase (Aldehyde Oxidase, Xanthine dehydrogenase, Xanthine oxidase, Xanthine oxidoreductase, xdh, xdha, xor) discontinued
X0980-15AXanthine Oxidase (Aldehyde Oxidase, Xanthine dehydrogenase, Xanthine oxidase, Xanthine oxidoreductase, xdh, xdha, xor) (Biotin)
X0980-20Xanthine Oxidase (Aldehyde Oxidase, Xanthine dehydrogenase, Xanthine oxidase, Xanthine oxidoreductase, xdh, xdha, xor) (HRP)
X0980-16AXanthine Oxidase (Xanthine Oxidoreductase, XO)
043916XDH, NT (XDH, XDHA, Xanthine dehydrogenase/oxidase, Xanthine dehydrogenase, Xanthine oxidase, Xanthine oxidoreductase)
HY-178342Xanthine oxidase-IN-18
HY-U00288Xanthine oxidase-IN-1
HY-146273Xanthine oxidase-IN-7

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