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CAY10404

CAT: 0931-T8656-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T8656-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
340267-36-9
Target
COX, Akt, Apoptosis
Related Pathways
Apoptosis, Cytoskeletal Signaling, Neuroscience, PI3K/Akt/mTOR signaling, Immunology/Inflammation
Purity
0.9985
Bioactivity
CAY10404 (3- (4-METHYLSULPHONYLPHENYL) -4-PHENYL-5-T) 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 NSC-LC cells, with analgesic, anti-inflammatory and anti-cancer activities.
Smiles
CS(=O)(=O)c1ccc(cc1)-c1noc(c1-c1ccccc1)C(F)(F)F
Molecular Formula
C17H12F3NO3S
Molecular Weight
367.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

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Alternative Products

CatalogName
sc-223860ACAY10404
A22525-50CAY10404 50mg
A22525-2CAY10404 2mg
A22525-10CAY10404 10mg
A22525-200CAY10404 200mg
A22525-100CAY10404 100mg
A22525-25CAY10404 25mg
HY-121537R-01CAY10404 (Standard)
A22525-5CAY10404 5mg
A22525-10mM-DCAY10404 10mM * 1mL in DMSO

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