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CAY10404

CAT: 0013-GTR19157037-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157037-01Size:200 mg
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Description
CAY10404 is a potent and highly selective inhibitor of COX-2 and COX-1. It is also a potent inhibitor of PKB/Akt and MAPK signalling pathways and induces apoptosis in NSCLC cells, with analgesic, anti-inflammatory and anti-cancer activities.Treatment with CAY10404 in the range of 10-100 microM caused dose-dependent growth inhibition, with an average 50% inhibitory concentration (IC (50) ) of 60-100 micromol/L, depending on the cell line. Western blot analysis of CAY10404-treated cells showed cleavage of poly (ADP-ribose) polymerase (PARP) and procaspase-3, signifying caspase activity and apoptotic cell death. CAY10404 treatment inhibited the phosphorylation of Akt, glycogen synthase kinase-3beta and extracellular signal-regulated kinases 1/2 in H460 and H358 cells.
CAS Number
340267-36-9
Product Name Alternative
3- (4-METHYLSULPHONYLPHENYL) -4-PHENYL-5-T
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (272.23 mM)
Smiles
CS (=O) (=O) c1ccc (cc1) -c1noc (c1-c1ccccc1) C (F) (F) F
Molecular Formula
C17H12F3NO3S
Molecular Weight
367.34
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

3-(4-Methylsulfonylphenyl)-4-phenyl-5-trifluoromethylisoxazole

Isoxazole, 3-[4-(methylsulfonyl)phenyl]-4-phenyl-5-(trifluoromethyl)- is a sulfonic acid derivative.

CAS Number340267-36-9
PubChem CID10429020
IUPAC Name3-(4-methylsulfonylphenyl)-4-phenyl-5-(trifluoromethyl)-1,2-oxazole
Molecular FormulaC17H12F3NO3S
Molecular Weight367.3
XLogP3.8
Topological Polar Surface Area68.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity546
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=NOC(=C2C3=CC=CC=C3)C(F)(F)F
InChI
InChI=1S/C17H12F3NO3S/c1-25(22,23)13-9-7-12(8-10-13)15-14(11-5-3-2-4-6-11)16(24-21-15)17(18,19)20/h2-10H,1H3
InChIKey
KKBWWVXRKULXHF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Methylsulfonylphenyl)-4-phenyl-5-trifluoromethylisoxazole
CAS: 340267-36-9
CID: 10429020
Formula: C17H12F3NO3S
MW: 367.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight367.3
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass367.04899890
Monoisotopic Mass367.04899890
Topological Polar Surface Area68.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity546
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