CAS Number198470-84-7
SynonymsN-{[4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}propanamide; N-[[4-[5-methyl-3-phenylisoxazol-4-yl]phenyl]sulfonyl]propanamide; parecoxib; N-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]-propanamide; 4-[4-(N-propionylsulfamoyl)-phenyl]-5-methyl-3-phenyl-isoxazole; N-propanoyl-4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide; N-[[4-[5-methyl-3-phenylisoxazol-4-yl]phenyl]sulfonyl]acetamide; Dynastat
Molecular FormulaC19H18N2O4S
Molecular Weight370.422
Density1.3±0.1 g/cm3
Melting Point148.9-151°
AppearanceSolid;White to Almost white powder to crystal
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 198470-84-7 |
| Catalog No. | 2A-1168101 |
| Chinese Name | 帕瑞昔布 |
| Synonyms | N-{[4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}propanamide; N-[[4-[5-methyl-3-phenylisoxazol-4-yl]phenyl]sulfonyl]propanamide; parecoxib; N-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]-propanamide; 4-[4-(N-propionylsulfamoyl)-phenyl]-5-methyl-3-phenyl-isoxazole; N-propanoyl-4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide; N-[[4-[5-methyl-3-phenylisoxazol-4-yl]phenyl]sulfonyl]acetamide; Dynastat |
| Molecular Formula | C19H18N2O4S |
| Molecular Weight | 370.422 |
| Density | 1.3±0.1 g/cm3 |
| Melting Point | 148.9-151° |
| Appearance | Solid;White to Almost white powder to crystal |
| Storage Condition | <0°C; avoid heating |
| Application | Parecoxib is a selective COX-2 inhibitor. |
| PubChem ID | 10238678 |
| SMILES | CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1 |
| InChI | InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22) |
| InChI Key | TZRHLKRLEZJVIJ-UHFFFAOYSA-N |
| Hazard Symbols | transportation |
| MSDS | msds/168144_2_198470_84_7.pdf |
| Bioactivity | Parecoxib is a potent and selective COX-2 inhibitor.IC50 value:Target: COX-2in vitro: The prodrug Parecoxib as well as its active metabolite val have a specific affinity to the cannabinoid (CB) receptor measured in CB1-expressing HEK 293 cells and rat brain tissue [1].in vivo: Adult male Sprague-Dawley rats were administered parecoxib (10 or 30 mg kg(-1), IP) or isotonic saline twice a day starting 24 h after middle cerebral artery occlusion (MCAO) for three consecutive days [2]. The selective COX-2 inhibitor parecoxib was delivered 20 min before or 20 min after the incision by intraperitoneal injection. Pretreatment with parecoxib markedly attenuated the pain hypersensitivity induced by incision [3]. Related Catalog Research Areas >> Inflammation/Immunology Target COX-2 References [1]. Ye Z, et al. Delayed administration of parecoxib, a specific COX-2 inhibitor, attenuated postischemic neuronal apoptosis by phosphorylation Akt and GSK-3β. Neurochem Res. 2012 Feb;37(2):321-9. [2]. Schr?der H, et al. Parecoxib and its metabolite valdecoxib directly interact with cannabinoid binding sites in CB1-expressing HEK 293 cells and rat brain tissue. Neurochem Int. 2011 Jan;58(1):9-13. [3]. Guo YJ, et al. Analgesic effects of the COX-2 inhibitor parecoxib on surgical pain through suppression of spinal ERK signaling. Exp Ther Med. 2013 Jul;6(1):275-279. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Melting Point 148.9-151° Molecular Formula C19H18N2O4S Molecular Weight 370.422 Exact Mass 370.098724 PSA 101.14000 LogP 1.72 Index of Refraction 1.580 InChIKey TZRHLKRLEZJVIJ-UHFFFAOYSA-N SMILES CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1 |
| Use of | Properties Name parecoxib Synonym More Synonyms parecoxib Biological Activity Related Catalog Research Areas >> Inflammation/Immunology References [1]. Ye Z, et al. Delayed administration of parecoxib, a specific COX-2 inhibitor, attenuated postischemic neuronal apoptosis by phosphorylation Akt and GSK-3β. Neurochem Res. 2012 Feb;37(2):321-9. [3]. Guo YJ, et al. Analgesic effects of the COX-2 inhibitor parecoxib on surgical pain through suppression of spinal ERK signaling. Exp Ther Med. 2013 Jul;6(1):275-279. Chemical & Physical Properties Molecular Formula C19H18N2O4S Exact Mass 370.098724 PSA 101.14000 Index of Refraction 1.580 InChIKey TZRHLKRLEZJVIJ-UHFFFAOYSA-N |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 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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