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ABT-963

CAT: 1410-M34152-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M34152-02Size:5 mg
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Description
ABT-963 is a potent and selective inhibitor of disubstituted pyridazinone cyclooxygenase-2 (LOX2) that dose-dependently reduces injury perception in a carrageenan model of nociceptive sensitization.ABT-963 is used in the study of arthritis.
CAS Number
266320-83-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
464.48
Molecular Formula
C22H22F2N2O5S
Notes
Research use only, not for human use.
Receptor
Lipoxygenase

Chemical Information

2-(3,4-Difluorophenyl)-4-(3-hydroxy-3-methyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one
CAS Number266320-83-6
PubChem CID9847260
IUPAC Name2-(3,4-difluorophenyl)-4-(3-hydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one
Molecular FormulaC22H22F2N2O5S
Molecular Weight464.5
XLogP2.6
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity860
SMILES
CC(C)(CCOC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)S(=O)(=O)C)O
InChI
InChI=1S/C22H22F2N2O5S/c1-22(2,28)10-11-31-20-17(14-4-7-16(8-5-14)32(3,29)30)13-25-26(21(20)27)15-6-9-18(23)19(24)12-15/h4-9,12-13,28H,10-11H2,1-3H3
InChIKey
XNTLXAUHLBBEKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Difluorophenyl)-4-(3-hydroxy-3-methyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one
CAS: 266320-83-6
CID: 9847260
Formula: C22H22F2N2O5S
MW: 464.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass464.12174930
Monoisotopic Mass464.12174930
Topological Polar Surface Area105 Ų
Heavy Atom Count32
Formal Charge0
Complexity860
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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