CAS Number202409-33-4
SynonymsNucoxia; UNII-WRX4NFY03R; 5-chloro-3(methylsulfonyl)phenyl-2-((4-methyl)-3-pyridyl)-pyridine; 5-Chloro-6'-methyl-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine; Tauxib; Algix; 5-chloro-3-(4-(methylsulfonyl)phenyl)-2-(2-methyl-5-pyridinyl)pyridine; 5-chloro-3-(4-(methylsulfonyl)phenyl)-2-(Methyl-5-pyridinyl) pyridine; 5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine; etoricoxib; Arcoxia; Etoricoxibe; 2-(6-methylpyrid-3-yl)-3-(4-methylsulfonylphenyl)-5-chloropyridine; 5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine; 3-(4-methylsulfonylphenyl)-2-(2-methyl-5-pyridyl)-5-chloro-pyridine; MK-0663; MK-663; MFCD06797512
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.84
Purity≥95 (HPLC)%
Density1.3±0.1 g/cm3
Boiling Point510.0±50.0 °C at 760 mmHg
Melting Point134-135°C
Appearancepowder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 202409-33-4 |
| Catalog No. | 2A-9010426 |
| Chinese Name | 依托考昔 |
| Synonyms | Nucoxia; UNII-WRX4NFY03R; 5-chloro-3(methylsulfonyl)phenyl-2-((4-methyl)-3-pyridyl)-pyridine; 5-Chloro-6'-methyl-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine; Tauxib; Algix; 5-chloro-3-(4-(methylsulfonyl)phenyl)-2-(2-methyl-5-pyridinyl)pyridine; 5-chloro-3-(4-(methylsulfonyl)phenyl)-2-(Methyl-5-pyridinyl) pyridine; 5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine; etoricoxib; Arcoxia; Etoricoxibe; 2-(6-methylpyrid-3-yl)-3-(4-methylsulfonylphenyl)-5-chloropyridine; 5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine; 3-(4-methylsulfonylphenyl)-2-(2-methyl-5-pyridyl)-5-chloro-pyridine; MK-0663; MK-663; MFCD06797512 |
| Molecular Formula | C18H15ClN2O2S |
| Molecular Weight | 358.84 |
| Purity | ≥95 (HPLC) |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 510.0±50.0 °C at 760 mmHg |
| Melting Point | 134-135°C |
| Appearance | powder |
| Storage Condition | -20°C Freezer |
| Application | Etoricoxib is a non-steroidal anti-inflammatory agent and an orally available, selective COX-2 inhibitor with IC50 values of 1.1 μM and 116 μM for COX-2 and COX-1 in human whole blood, respectively. |
| HTC | 2933399090 |
| MDL Number | MFCD06797512 |
| SMILES | CC1=NC=C(C2=C(C3=CC=C(S(C)(=O)=O)C=C3)C=C(Cl)C=N2)C=C1 |
| InChI | 1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3 |
| InChI Key | MNJVRJDLRVPLFE-UHFFFAOYSA-N |
| Beilstein/REAXYS | 8073797 |
| NACRES Code | NA.77 |
| UNSPSC | 12352107 |
| Hazard Symbols | Transport |
| MSDS | msds/10426_1_202409_33_4.pdf |
| Bioactivity | Etoricoxib is a non steroidal anti-inflammatory agent, acting as a selective and orally active COX-2 inhibitor, with IC50s of 1.1 μM and 116 μM for COX-2 and COX-1 in human whole blood. Related Catalog Research Areas >> Inflammation/Immunology Target COX-2:1.1 μM (IC50, in human whole blood) COX-1:116 μM (IC50, in human whole blood) In Vitro Etoricoxib (MK-0663) is a selective and orally active COX-2 inhibitor, with IC50s of 1.1 μM, 116 μM and 5 μM for COX-2, COX-1 in human whole blood and purified human COX-2, respectively. Etoricoxib shows inhibitory effect on PGE2 production by CHO (COX-2) cells (IC50, 79 nM), on purified human COX-2 with detergent (IC50, 4.1 μM), and on purified PGE2 production by U937 microsomes (low substrate; IC50, 12.1 μM). However, Etoricoxib has little activity against COX-1 with a Ki of 167 μM[1]. In Vivo Etoricoxib (0.1-30 mg/kg, p.o.) dose-dependently inhibits carrageenan-induced paw edema, carrageenan-induced paw hyperalgesia, and endotoxin-induced pyresis in rats. Etoricoxib (≥10 mg/kg) completely reverses hyperalgesia response in the rat hyperalgesia model. Etoricoxib (200 mg/kg/day) has no effect on urinary 51Cr excretion in rats, and nor in monkeys at 100 mg/kg/day[1]. Etoricoxib (50 and 100 mg/kg) potently increases the malondialdehyde (MDA) and myeloperoxidase (MPO) levels, and decreases the total glutathione (tGSH) and glutathione reductase (GSHRd) levels in rats. Etoricoxib (100 mg/kg) significantly inhibits the decrease of NO in rats[2]. Etoricoxib (0.64 mg/kg, p.o.) reduces the features such as multiple plaque lesions, hyperplasia and dysplasia induced by 1,2-dimethylhydrazine dihydrochloride (DMH) in rats[3]. Animal Admin Rats[3] Animals are assorted into the following groups with four to six animals in each group: Control Group, Animals are administrated the vehicle (1mM EDTA-saline subcutaneously) in weekly injection and 0.5% carboxymethyl cellulose per oral daily; 1,2-dimethylhydrazine dihydrochloride (DMH) Group, animals are administrated with DMH weekly at a dose of 30 mg/kg body weight subcutaneously, DMH is freshly prepared in 1mM EDTA-saline, pH adjusted to 7.0 using dilute NaOH solution; DMH + Etoricoxib Group, Etoricoxib is given daily per oral at its therapeutic anti-inflammatory dose (ED50 for rats, 0.64 mg/kg body weight) to the animals along with the weekly administration of DMH; and Etoricoxib Group: Etoricoxib alone is administered orally daily (0.64 mg/kg body weight). After six weeks, animals are kept on overnight fasting with drinking water ad libitum and sacrificed the next day. The animal body weights in all the groups are recorded once in a week till the termination.[3]. References [1]. Riendeau D, et al.Etoricoxib (MK-0663): preclinical profile and comparison with other agents that selectively inhibit cyclooxygenase-2. J Pharmacol Exp Ther. 2001 Feb;296(2):558-66. [2]. Kunak CS, et al. The Effect of Etoricoxib on Hepatic Ischemia-Reperfusion Injury in Rats. Oxid Med Cell Longev. 2015;2015:598162. [3]. Tanwar L, et al. Anti-proliferative and apoptotic effects of etoricoxib, a selective COX-2 inhibitor, on 1,2-dimethylhydrazine dihydrochloride-induced colon carcinogenesis. Asian Pac J Cancer Prev. 2010;11(5):1329-33. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 510.0±50.0 °C at 760 mmHg Melting Point 134-135°C Molecular Formula C18H15ClN2O2S Molecular Weight 358.842 Flash Point 262.2±30.1 °C Exact Mass 358.054260 PSA 68.30000 LogP 2.21 Vapour Pressure 0.0±1.3 mmHg at 25°C Index of Refraction 1.601 InChIKey MNJVRJDLRVPLFE-UHFFFAOYSA-N SMILES Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1 Storage condition -20°C Freezer |
| Use of | Etoricoxib is a non steroidal anti-inflammatory agent, acting as a selective and orally active COX-2 inhibitor, with IC50s of 1.1 μM and 116 μM for COX-2 and COX-1 in human whole blood. Properties Articles44 Name etoricoxib Synonym More Synonyms etoricoxib Biological Activity Description Etoricoxib is a non steroidal anti-inflammatory agent, acting as a selective and orally active COX-2 inhibitor, with IC50s of 1.1 μM and 116 μM for COX-2 and COX-1 in human whole blood. Related Catalog Research Areas >> Inflammation/Immunology COX-2:1.1 μM (IC50, in human whole blood) COX-1:116 μM (IC50, in human whole blood) References [1]. Riendeau D, et al.Etoricoxib (MK-0663): preclinical profile and comparison with other agents that selectively inhibit cyclooxygenase-2. J Pharmacol Exp Ther. 2001 Feb;296(2):558-66. [2]. Kunak CS, et al. The Effect of Etoricoxib on Hepatic Ischemia-Reperfusion Injury in Rats. Oxid Med Cell Longev. 2015;2015:598162. [3]. Tanwar L, et al. Anti-proliferative and apoptotic effects of etoricoxib, a selective COX-2 inhibitor, on 1,2-dimethylhydrazine dihydrochloride-induced colon carcinogenesis. Asian Pac J Cancer Prev. 2010;11(5):1329-33. Chemical & Physical Properties Exact Mass 358.054260 PSA 68.30000 Index of Refraction 1.601 InChIKey MNJVRJDLRVPLFE-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 United Nations shipping name European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (Etoricoxib) IMDG: TOXIC SOLID, ORGANIC, N.O.S. (Etoricoxib) IFRS: Toxic solid, organic, n.o.s. (Etoricoxib) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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