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CAY10575

CAT: 0013-GTR19197950-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197950-02Size:5 mg
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Description
CAY10575 (IKK2-IN-3) is a selective inhibitor of IKK2, a key kinase in the NF-κB signaling pathway. It is used in research to investigate inflammatory mechanisms in vitro and has shown potential for studying conditions like arthritis and metabolic disorders in preclinical models.
CAS Number
916985-21-2
Field of Research
Signal Transduction
Smiles
O=C (N) C=1SC (=CC1OCC2=CC=C (C=C2) S (=O) (=O) C) N3C=NC=4C=C (OC) C (OC) =CC43
Molecular Formula
C22H21N3O6S2
Molecular Weight
487.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-[[4-(methylsulfonyl)phenyl]methoxy]-2-thiophenecarboxamide

5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(4-methylsulfonylphenyl)methoxy]-2-thiophenecarboxamide is a member of benzimidazoles.

CAS Number916985-21-2
PubChem CID25190912
IUPAC Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methylsulfonylphenyl)methoxy]thiophene-2-carboxamide
Molecular FormulaC22H21N3O6S2
Molecular Weight487.6
XLogP3
Topological Polar Surface Area159
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity785
SMILES
COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=C(C=C4)S(=O)(=O)C)OC
InChI
InChI=1S/C22H21N3O6S2/c1-29-17-8-15-16(9-18(17)30-2)25(12-24-15)20-10-19(21(32-20)22(23)26)31-11-13-4-6-14(7-5-13)33(3,27)28/h4-10,12H,11H2,1-3H3,(H2,23,26)
InChIKey
YYZTVTZCYVZGRB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-[[4-(methylsulfonyl)phenyl]methoxy]-2-thiophenecarboxamide
CAS: 916985-21-2
CID: 25190912
Formula: C22H21N3O6S2
MW: 487.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.6
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass487.08717775
Monoisotopic Mass487.08717775
Topological Polar Surface Area159 Ų
Heavy Atom Count33
Formal Charge0
Complexity785
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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