Products for Research Use Only
RegisterLogin

CAY10416

CAT: 0013-GTR19191403-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19191403-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
CAY10416 is a potent dual COX-2/5-LOX inhibitor with high selectivity, exhibiting anti-proliferative and pro-apoptotic activity in prostate cancer cell lines like PC3 and LNCaP. It is a research tool for studying inflammation and oncology, particularly in models of prostate cancer and related inflammatory pathways.
CAS Number
443919-96-8
Field of Research
Immunology & Inflammation, Metabolism Research, Neuroscience
Smiles
O (C) C1 (CCOCC1) C2=CC (OCC3=NN (C (=C3) C4=CC=CC=C4) C5=CC=C (S (C) (=O) =O) C=C5) =CC (F) =C2
Molecular Formula
C29H29FN2O5S
Molecular Weight
536.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-((3-fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)phenoxy)methyl)-1-(4-(methylsulfonyl)phenyl)-5-phenyl-1H-pyrazole
CAS Number443919-96-8
PubChem CID10459826
IUPAC Name3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-(4-methylsulfonylphenyl)-5-phenylpyrazole
Molecular FormulaC29H29FN2O5S
Molecular Weight536.6
XLogP4.2
Topological Polar Surface Area88
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity850
SMILES
COC1(CCOCC1)C2=CC(=CC(=C2)F)OCC3=NN(C(=C3)C4=CC=CC=C4)C5=CC=C(C=C5)S(=O)(=O)C
InChI
InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3
InChIKey
WSCRVCJAJAXULJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((3-fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)phenoxy)methyl)-1-(4-(methylsulfonyl)phenyl)-5-phenyl-1H-pyrazole
CAS: 443919-96-8
CID: 10459826
Formula: C29H29FN2O5S
MW: 536.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.6
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass536.17812137
Monoisotopic Mass536.17812137
Topological Polar Surface Area88 Ų
Heavy Atom Count38
Formal Charge0
Complexity850
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

Related Products

CatalogName
GTR19191829-01CAY10410
GTR19191321-01CAY10486
GTR19190543-01CAY10412
GTR19192168-01CAY10406
GTR19232799-01CAY10464
GTR19232789-01CAY10455
GTR19190602-01CAY10448
GTR19190596-01CAY10766
GTR19190591-01CAY10498
GTR19190542-01CAY10719

Alternative Products

CatalogName
T36457-01CAY10416

Popular Products