CAS Number181695-72-7
Synonyms4-(5-methyl-3-phenylisoxazol-4-yl)benzensulfonamide; Bextra(Valdecoxib); 4-(4-sulfamoylphenyl)-5-methyl-3-phenyl-isoxazole; T5NOJ C1 DR DSZW& ER; 4-(5-Methyl-3-phenylisoxazol-4-yl)benzolsulfonamid; Bextra; Valdecoxib; 4-[5-methyl-3-phenylisoxazol-4-yl ] benzenesulfonamide; EINECS 448-010-8; Kudeq; Valdyn; 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide; 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide; p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide; 4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide; MFCD00950568; Valdecoxib(R)
Molecular FormulaC16H14N2O3S
Molecular Weight314.36
Purity≥98 (HPLC)%
Density1.3±0.1 g/cm3
Boiling Point481.2±55.0 °C at 760 mmHg
Melting Point162-164ºC
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 181695-72-7 |
| Catalog No. | 2A-9012900 |
| Chinese Name | 伐地考昔 |
| Synonyms | 4-(5-methyl-3-phenylisoxazol-4-yl)benzensulfonamide; Bextra(Valdecoxib); 4-(4-sulfamoylphenyl)-5-methyl-3-phenyl-isoxazole; T5NOJ C1 DR DSZW& ER; 4-(5-Methyl-3-phenylisoxazol-4-yl)benzolsulfonamid; Bextra; Valdecoxib; 4-[5-methyl-3-phenylisoxazol-4-yl ] benzenesulfonamide; EINECS 448-010-8; Kudeq; Valdyn; 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide; 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide; p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide; 4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide; MFCD00950568; Valdecoxib(R) |
| Molecular Formula | C16H14N2O3S |
| Molecular Weight | 314.36 |
| Purity | ≥98 (HPLC) |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 481.2±55.0 °C at 760 mmHg |
| Melting Point | 162-164ºC |
| Appearance | powder |
| Water Solubility | Water solubility: insoluble; soluble in: ethanol, |
| Storage Condition | Store at RT |
| Application | Valdecoxib is a highly potent, orally available, selective COX-2 inhibitor with IC50 values of 5 nM and 140 μM for COX-2 and COX-1, respectively, and can be used in arthritis and pain research. |
| HTC | 2935009090 |
| PubChem ID | 329823753 |
| MDL Number | MFCD00950568 |
| SMILES | Cc1onc(-c2ccccc2)c1-c3ccc(cc3)S(N)(=O)=O |
| InChI | 1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) |
| InChI Key | LNPDTQAFDNKSHK-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/12900_1_181695_72_7.pdf |
| Use of | Valdecoxib is a highly potent and selective inhibitor of COX-2, with IC50s of 5 nM and 140 μM for COX-2 and COX-1, respeceively. Valdecoxib can be used in the research of arthritis and pain. Properties Name valdecoxib Synonym More Synonyms Valdecoxib Biological Activity Description Valdecoxib is a highly potent and selective inhibitor of COX-2, with IC50s of 5 nM and 140 μM for COX-2 and COX-1, respeceively. Valdecoxib can be used in the research of arthritis and pain. Related Catalog Research Areas >> Inflammation/Immunology COX-2:5 nM (IC50) COX-1:140 μM (IC50) In Vitro Valdecoxib (Compound 2) is a highly potent, selective and orally active inhibitor of COX-2, with IC50s of 5 nM and 140 μM for COX-2 and COX-1, respeceively[1]. Valdecoxib (10, 100 µM) inhibits LPS-induced proliferation of endothelial cells and bFGF secretion in a dose-dependent manner. Valdecoxib stimulates VEGF formation via HMEC-1 under inflammatory conditions[2]. References [1]. Talley JJ, et al. 4-[5-Methyl-3-phenylisoxazol-4-yl]- benzenesulfonamide, valdecoxib: a potent and selective inhibitor of COX-2. J Med Chem. 2000 Mar 9;43(5):775-7. [3]. Kumar A, et al. Protective effects of selective and non-selective cyclooxygenase inhibitors in an animal model of chronic stress. Neurosci Bull. 2010 Feb;26(1):17-27. Chemical & Physical Properties Molecular Formula C16H14N2O3S Exact Mass 314.072510 PSA 94.57000 Index of Refraction 1.609 InChIKey LNPDTQAFDNKSHK-UHFFFAOYSA-N Storage condition Store at RT Safety Information GHS08, GHS09 Signal Word Warning Hazard Statements H361d-H373-H410 Precautionary Statements P273-P281-P501 Hazard Codes Xn,N RIDADR NONH for all modes of transport HS Code 2935009090 Synthetic Route 4,5-Dihydro-5-m... 181696-73-1 Valdecoxib 181695-72-7 4-(5-Methyl-3-p... 509074-26-4 Valdecoxib 181695-72-7 Literature: Reddy, Anumula Raghupathi; Goverdhan, Gilla; Sampath, Aalla; Mukkanti, Khagga; Reddy, Padi Pratap; Bandichhor, Rakeshwar Synthetic Communications, 2012 , vol. 42, # 5 p. 639 - 649 1,2-Diphenyleth... Ethanoic anhydr... Valdecoxib 181695-72-7 Precursor & DownStream Precursor 10 CAS#:181696-73-1 4,5-Dihydro-5-m... CAS#:509074-26-4 4-(5-Methyl-3-p... CAS#:952-06-7 1,2-Diphenyleth... CAS#:108-24-7 Ethanoic anhydride DownStream 3 CAS#:181695-81-8 1-Hydroxy Valdecoxib CAS#:198471-06-6 N-[[4-[5-methyl... CAS#:198470-84-7 |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 35.0% |
| Transport Info | Product name: Summary 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0% |
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