COX-2/CA II-2
COX-2/CA II-2 is an orally active dual selective inhibitor targeting COX-2 and hCA II. COX-2/CA II-2 inhibits COX-2 with an IC50 value of 0.05 μM (SI = 12.02 vs COX-1) and hCA II with a Ki value of 62.6 nM (SI = 704.2 vs hCA I). COX-2/CA II-2 demonstrates significant analgesic and anti-inflammatory effects with rapid onset and sustained duration in animal models, shows improved gastric safety with reduced ulcerogenic liability, and exhibits a gradual intraocular pressure (IOP)-lowering effect without statistical significance relative to the sham-treated eye in rabbit glaucoma models. COX-2/CA II-2 can be used for anti-inflammatory, analgesic and antiglaucoma research.
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研究用途以外に使用した場合、当社は一切の責任を負いかねます。
- 分子式: C20H17N5O3S2
- 分子量:439.51
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保管条件:
Please store the product under the recommended conditions in the Certificate of Analysis.
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生物活性
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化学情報
- 純度とドキュメンテーション
- 参考文献
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Help & FAQs
生物活性
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COX-2 0.05 μM (IC50) |
COX-1 0.64 μM (IC50) |
hCA II 62.6 nM (Ki) |
hCA XII 69.7 nM (Ki) |
hCA I 44,080 nM (Ki) |
COX-2/CA II-2 (compound 5d) inhibits COX-1 with an IC50 of 0.64 μM and COX-2 with an IC50 of 0.05 μM, corresponding to a selectivity index (SI) of 12.02[1].
COX-2/CA II-2 inhibits hCA II with a Ki of 62.6 nM, hCA XII with a Ki of 69.7 nM, and hCA I with a Ki of 44,080 nM, with selectivity indices SI I/II = 704.2 and SI XII/II = 1.11[1].
COX-2/CA II-2 binds to the hCA II active site (PDB: 1Z9Y), forming Zn coordination, hydrogen bonds with Thr199/Thr200 and Gln92, and π-π stacking with Phe131[1].
COX-2/CA II-2 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-2 (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 23.6% (1 h), 9.8% (2 h), 49.2% (3 h), 49.2% (4 h), 67.9% (5 h) and 72.3% (6 h) in the carrageenan-induced paw edema model using adult male albino rats[1].
COX-2/CA II-2 (50 mg/kg; p.o.; single dose for 24 h) attenuates gastric irritation, affording 100% protection at 1 h and 49.8% protection (vs Ibuprofen) at the 24 h time point in acute Gastric Ulcer Model using adult male albino rats[1].
COX-2/CA II-2 (0.05% solution, 0.1 mL; topical administration) shows a gradual intraocular pressure (IOP)-lowering effect without statistical significance relative to the sham-treated eye in the 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 rapid-onset analgesic activity with significant effect observed as early as 10 min postadministration relative to Ibuprofen and sustained 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 23.6% (1 h), 9.8% (2 h), 49.2% (3 h), 49.2% (4 h), 67.9% (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, 100% protection (vs Ibuprofen) at 1 h and 49.8% protection (vs Ibuprofen) 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:0.05% solution, 0.1 mL
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Administration:topical administration
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Result:Showed a gradual intraocular pressure (IOP)-lowering effect without statistical significance relative to the sham-treated eye.
化学情報
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分子量 439.51
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分子式 C20H17N5O3S2
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SMILES
NS(C1=CC=C(N2C(C3=CC=CC=C3)=C(C=N2)C4=NN=C(O4)SCC=C)C=C1)(=O)=O
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輸送条件
Room temperature in continental US; may vary elsewhere.
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保管条件
Please store the product under the recommended conditions in the Certificate of Analysis.
純度とドキュメンテーション
参考文献
[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
濃度 (開始) × 体積 (開始) = 濃度 (終了) × 体積 (終了)
COX-2/CA II-2 関連分類
HY-184938 関連分類
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