COX-2/CA II-1
COX-2/CA II-1 is an orally active dual selective inhibitor targeting COX-2 and hCA II. COX-2/CA II-1 inhibits COX-2 with an IC50 value of 0.13 μM (SI = 9.25 vs COX-1) and hCA II with a Ki value of 39.1 nM (SI = 933.8 vs hCA I). COX-2/CA II-1 demonstrates significant analgesic and anti-inflammatory effects in animal models, shows improved gastric safety with reduced ulcerogenic liability, and exhibits intraocular pressure (IOP)-lowering effects in rabbit glaucoma models. COX-2/CA II-1 can be used for anti-inflammatory, analgesic and antiglaucoma research.
For research use only. We do not sell to patients.
- Formula: C19H15N5O5S2
- Molecular Weight:457.48
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
- Protocols
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Description
IC50 & Target
[1]|
COX-2 0.13 μM (IC50) |
COX-1 1.19 μM (IC50) |
hCA XII 34.2 nM (Ki) |
hCA II 39.1 nM (Ki) |
hCA I 36,510 nM (Ki) |
In Vitro
COX-2/CA II-1 (compound 5b) inhibits COX-1 with an IC50 of 1.19 μM and COX-2 with an IC50 of 0.13 μM, corresponding to a selectivity index (SI) of 9.25[1].
COX-2/CA II-1 inhibits hCA XII with a Ki of 34.2 nM, hCA II with a Ki of 39.1 nM, and hCA I with a Ki of 36,510 nM, with selectivity indices SI I/II = 933.8 and SI XII/II = 0.87[1].
COX-2/CA II-1 binds to the hCA II active site (PDB: 1Z9Y), forming Zn coordination, hydrogen bonds with Thr199/Thr200 and Gln92, and hydrophobic interactions with Phe131[1].
COX-2/CA II-1 binds to the COX-2 active site (PDB: 5KIR), forming hydrogen bonds with Arg513, Phe518, Gln192 and Leu352, and π-π stacking with Tyr355[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. Further protocols information, click here.
In Vivo
COX-2/CA II-1 (50 mg/kg; p.o.; single dose for 6 h) exhibits anti-inflammatory activity with an apparent early onset of action, reduces carrageenan-induced paw edema with inhibition rates of 22.8% (2 h), 49.2% (3 h), 56.6% (4 h), 73.0% (5 h) and 72.3% (6 h) in the carrageenan-induced paw edema model using adult male albino rats[1].
COX-2/CA II-1 (50 mg/kg; p.o.; single dose for 24 h) attenuates gastric irritation, affording 50.2% (vs Ibuprofen) protection at 3 h and 35.5% protection (vs Ibuprofen) at the 24 h time point in acute Gastric Ulcer Model using adult male albino rats[1].
COX-2/CA II-1 (1% solution, 0.05 mL; topical administration) produces a rapid and significant reduction in intraocular pressure (IOP) in hypertonic saline-induced glaucoma model using adult male New Zealand albino rabbits[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Hot plate test using male albino mice weighing 30-40 g[1]
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Dosage:50 mg/kg
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Administration:i.p.; single dose for 90 min
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Result:Demonstrated analgesic activity with a slower onset relative to Ibuprofen yet persistent efficacy over the whole 90-min observation period.
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Animal Model:Carrageenan-induced paw edema model using adult male albino rats weighing 170-200 g[1]
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Dosage:50 mg/kg
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Administration:p.o.; single dose for 6 h
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Result:Exhibited anti-inflammatory activity with an apparent early onset of action.
Reduced carrageenan-induced paw edema with inhibition rates of 22.8% (2 h), 49.2% (3 h), 56.6% (4 h), 73.0% (5 h) and 72.3% (6 h).
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Animal Model:Acute Gastric Ulcer Model using adult male albino rats weighing between 170 and 200 g[1]
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Dosage:50 mg/kg
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Administration:p.o.; single dose for 24 h
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Result:Attenuated gastric irritation, affording 50.2% (vs Ibuprofen) protection at 3 h and 35.5% (vs Ibuprofen) protection at the 24 h time point.
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Animal Model:Hypertonic saline-induced glaucoma model using adult male New Zealand albino rabbits weighting ranged from 1900-2500 g[1]
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Dosage:1% solution, 0.05 mL
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Administration:topical administration
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Result:Produced a rapid and significant reduction in intraocular pressure (IOP).
Chemical Information
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Molecular Weight 457.48
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Formula C19H15N5O5S2
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SMILES
NS(C1=CC=C(N2C(C3=CC=CC=C3)=C(C=N2)C4=NN=C(O4)SCC(O)=O)C=C1)(=O)=O
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Protocols
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Cell Cytotoxicity Assay
Cytotoxicity assays are usually based on the assessment of cell membrane damage, which can also be indirectly detected by measuring cell viability. Detection methods include MTT assay, CKK-8 assay, LDH assay and ATP assay, etc.
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Research Protocol for Inflammation-related Diseases
The NLRP3 inflammasome is a cytosolic innate immune signaling platform that integrates priming signals and danger-signal activation to promote caspase-1 activation, maturation of IL-1β and IL-18, and gasdermin D-mediated pyroptotic cell death. The core experimental logic is to determine whether inflammatory disease phenotypes are driven by increased NLRP3 expression, ASC-containing inflammasome assembly, caspase-1 cleavage, GSDMD cleavage, and extracellular release of IL-1β/IL-18 rather than by nonspecific cell injury alone. The pathway is strongly linked to inflammation-related disease phenotypes because monosodium urate crystals activate NALP3/NLRP3 inflammasome signaling in gout-like crystal inflammation, cholesterol crystals activate NLRP3 inflammasomes in atherogenesis models, and DSS-induced intestinal inflammation has been reported to involve NLRP3 inflammasome activity. However, experimental colitis studies also show context-dependent protective effects of NLRP3 inflammasome co
Purity & Documentation
References
[1]. Ezzat MAF, et al. Hybrids of Benzenesulfonamide Oxadiazole Derivatives with Dual CA II and COX-2 Inhibitory Activity Demonstrating Antiglaucoma and Anti-inflammatory Action: Synthesis, In Silico Insights, and In Vitro and In Vivo Bioevaluation. J Med Chem. 2026 Jul 23;69(14):17243-17259. [Content Brief]
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
COX-2/CA II-1 Related Classifications
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