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.
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- Formule: C19H15N5O5S2
- Masse moléculaire:457.48
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Stockage:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Activité biologique
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Chemical Information
- Pureté et documentation
- Références
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Help & FAQs
Activité biologique
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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) |
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.
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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Masse moléculaire 457.48
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Formule 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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Livraison
Room temperature in continental US; may vary elsewhere.
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Stockage
Please store the product under the recommended conditions in the Certificate of Analysis.
Pureté et documentation
Références
[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
HY-184937 Related Classifications
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