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About This Item
Empirical Formula (Hill Notation):
C17H14F3N3O3S
CAS Number:
Molecular Weight:
397.37
UNSPSC Code:
12352200
NACRES:
NA.77
Product Name
Deracoxib, ≥98% (HPLC)
SMILES string
FC(F)c1n[n](c(c1)c3cc(c(cc3)OC)F)c2ccc(cc2)[S](=O)(=O)N
InChI
1S/C17H14F3N3O3S/c1-26-16-7-2-10(8-13(16)18)15-9-14(17(19)20)22-23(15)11-3-5-12(6-4-11)27(21,24)25/h2-9,17H,1H3,(H2,21,24,25)
InChI key
WAZQAZKAZLXFMK-UHFFFAOYSA-N
assay
≥98% (HPLC)
form
powder
color
white to brown
solubility
DMSO: 2 mg/mL, clear
storage temp.
room temp
Related Categories
Biochem/physiol Actions
Deracoxib is an orally active cyclooxygenase-2 (COX-2) inhibitor with >48-fold selectivity over COX-1 (IC50 of 203-189 nM against COX-2-dependent PGE2 production vs. IC50 of 9.85-9.96 μM against COX-1-dependent TxB2 production in dog whole blood). Deracoxib is also reported to exhibit inhibitory activity against phosphodiesterase (Ki = 3.6 μM against human PDE4D3) as well as positive modulatory effiacy toward 2-APB-stimulated transient receptor potential vanilloid 3 channel (TRPV3) activity.
Orally active COX-2 inhibitor with >48-fold selectivity over COX-1. Also inhibits PDE4D3 and enhances 2-APB-stimulated TRPV3 activity.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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British journal of pharmacology, 174(16), 2696-2705 (2017-06-02)
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J N King et al.
Research in veterinary science, 88(3), 497-506 (2009-12-17)
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