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ABT-963

CAT: 0013-GTR19198327-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198327-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ABT-963 is a selective COX-2 inhibitor used to study inflammatory pain and arthritis. It demonstrates dose-dependent analgesic effects in vivo, as shown in carrageenan-induced nociception models, and is applied in both in vitro and in vivo research on inflammation and sensitization.
CAS Number
266320-83-6
Product Name Alternative
ABT 963, ABT963, ABT-963, LOX-2
Field of Research
Immunology & Inflammation, Metabolism Research, Neuroscience
Purity
97.50% (May vary between batches)
Smiles
O=C1C (OCCC (O) (C) C) =C (C=NN1C2=CC=C (F) C (F) =C2) C3=CC=C (C=C3) S (=O) (=O) C
Molecular Formula
C22H22F2N2O5S
Molecular Weight
464.48
Storage Conditions
-20°C
Notes
For research use only.

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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Alternative Products

CatalogName
BUP03358-01ABT-963
ZGD86846-01GSK'963
T86064-01CK-963
530972GSK-963
MBS5776922DPC-963
HY-117477DPC 963
HY-19184MKC-963
S8642-5mgGSK´963
CRB1001718-01EGFR (963-975)
T70544-01MKC-963 (R-isomer)

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