| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C17H16N6O3S |
| SMILES | |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
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Compound Overview
COX-2-IN-30 is an orally active benzenesulfonamide derivative that dually inhibits COX, with IC50 values of 49 nM for COX-2 and 10.4 μM for COX-1, and 5-LOX, with an IC50 of 2.4 μM. It also inhibits the transmembrane isoforms hCA IX and hCA XII at nanomolar Ki values. The compound shows analgesic, anti-inflammatory, and ulcerogenic activity, without an acute gastric effect[1]. It has the molecular formula C17H16N6O3S and a molecular weight of 384.41 g/mol.
Physical & Chemical Properties
| CAS Number | 1160498-08-7 |
|---|---|
| Molecular Formula | C17H16N6O3S |
| Molecular Weight | 384.41 g/mol |
| SMILES | O=C(C1=C(N(N=C1)C2=CC=C(C=C2)S(N)(=O)=O)N)N/N=C/C3=CC=CC=C3 |
| Target | COX-2, COX-1, hCA I, hCA II, hCA IX, hCA XII, 5-LOX |
| Signaling Pathway | Immunology/Inflammation; Metabolic Enzyme/Protease |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target[1]
|
COX-2 49 nM (IC50) |
COX-1 10.4 μM (IC50) |
hCA I 183.4 nM (Ki) |
hCA II 81.4 nM (Ki) |
hCA IX 38.4 nM (Ki) |
hCA XII 21.6 nM (Ki) |
5-LOX 2.4 μM (IC50) |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with your institution's chemical hygiene plan.
In Vitro
COX-2-IN-30 binds to the hCA isoforms, giving Ki values of 183.4 nM for hCA I, 81.4 nM for hCA II, 38.4 nM for hCA IX, and 21.6 nM for hCA XII, respectively[1].
In Vivo
In mice, COX-2-IN-30 (10 mg/kg; po; single dose) shows analgesic activity and significantly reduces the number of writhing responses[1]. In the Carrageenan-induced rat paw edema assay, COX-2-IN-30 (10 mg/kg; po; single dose) significantly reduces paw height. COX-2-IN-30 also significantly lowers TNF-α and IL-1β levels[1]. In male albino rats, COX-2-IN-30 (10 mg/kg; po; single dose) shows a safety profile on gastric tissues[1].
| Animal Model | Albino mice (25-30 g)[1] |
|---|---|
| Dosage | 10 mg/kg |
| Administration | PO; single dose; after one hour, 0.1 mL of 1 percent acetic acid in a volume of 0.1 mL/10 g body weight was used to produce writhing. |
| Result | Decreased the number of writhing responses of mouse conpared with control group. |
| Animal Model | Paw edema rat induced by Carrageenan[1] |
|---|---|
| Dosage | 10 mg/kg |
| Administration | PO; single dose; after one hour, 0.1 mL of 1% carrageenan solution was injected in the left hind paw; measure inflammation height at 0, 1, 2, and 3 h |
| Result | Showed a significant reduction of paw height compared to control after 3 h. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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