CAS 189954-96-9|Firocoxib
Introduction：Basic information about CAS 189954-96-9|Firocoxib, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Firocoxib | ||
|---|---|---|---|
| CAS Number | 189954-96-9 | Molecular Weight | 336.403 |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 563.9±50.0 °C at 760 mmHg |
| Molecular Formula | C17H20O5S | Melting Point | 78-80°C |
| MSDS | / | Flash Point | 294.8±30.1 °C |
Names
| Name | firocoxib |
|---|---|
| Synonym | More Synonyms |
Firocoxib BiologicalActivity
| Description | Firocoxib(ML 1785713) is a potent and selective cyclooxygenase (COX)-2 inhibitor with IC50 of 0.13 uM, 58 fold sensitivity for COX2 VSCOX1.IC50 value: 0.13 uM [1]Target: COX2 inhibitorin vitro: Blood concentrations resulting in 50% inhibition of COX-1 and COX-2 activity in vitro were 75 +/- 2 microM and 0.13 +/- 0.03 microM, respectively, and selectivity for inhibiting COX-2 relative to COX-1 was 58. Firocoxib had moderate to high oral bioavailability (54% to 70%), low plasma clearance (4.7 to 5.8 mL/min/kg), and an elimination half-life of 8.7 to 12.2 hours [1]. in vivo: Administration of firocoxib did not cause any adverse effects on GI, or hematological or serum biochemical variables and appears to have been well tolerated by dogs [2]. Firocoxib (0.5 mg/kg) was initially administered i.v. to calves, and following a 14-day washout period, animals received firocoxib orally prior to cautery dehorning. Firocoxib concentrations were determined by liquid chromatography-tandem mass spectrometry [3]. Firocoxib 5 mg/kg was given orally once daily for 180 days to five dogs with clinical signs and histopathological lesions consistent with solar dermatitis/actinic keratosis. On days 0, 50 and 180, the severity of erythema, skin shine, induration and the number of comedones were evaluated by a clinical scoring system [4]. |
|---|---|
| Related Catalog | Research Areas >>Inflammation/Immunology |
| Target | COX-2:0.13 μM (IC50) COX-1:7.5 μM (IC50) |
| References | [1]. McCann ME, et al. In vitro effects and in vivo efficacy of a novel cyclooxygenase-2 inhibitor in cats with lipopolysaccharide-induced pyrexia. Am J Vet Res. 2005 Jul;66(7):1278-84. [2]. Steagall PV, et al. Evaluation of the adverse effects of oral firocoxib in healthy dogs. J Vet Pharmacol Ther. 2007 Jun;30(3):218-23. [3]. Stock ML, et al. Pharmacokinetics of firocoxib in preweaned calves after oral and intravenous administration. J Vet Pharmacol Ther. 2014 Oct;37(5):457-63. [4]. Albanese F, et al. Clinical outcome and cyclo-oxygenase-2 expression in five dogs with solar dermatitis/actinic keratosis treated with firocoxib. Vet Dermatol. 2013 Dec;24(6):606-12, e147. |
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 563.9±50.0 °C at 760 mmHg |
| Melting Point | 78-80°C |
| Molecular Formula | C17H20O5S |
| Molecular Weight | 336.403 |
| Flash Point | 294.8±30.1 °C |
| Exact Mass | 336.103149 |
| PSA | 78.05000 |
| LogP | 1.23 |
| Vapour Pressure | 0.0±1.5 mmHg at 25°C |
| Index of Refraction | 1.584 |
| InChIKey | FULAPETWGIGNMT-UHFFFAOYSA-N |
| SMILES | CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1 |
| Storage condition | -20?C Freezer |
Synonyms
| 3-(Cyclopropylmethoxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)furan-2(5H)-one |
| 2(5H)-Furanone, 3-(cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]- |
| 3-(Cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone |
| 3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one |
| 2(5H)-Furanone, 3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)- |
| Previcox |
| UNII-Y6V2W4S4WT |
| Equioxx |
| Firocoxib |
| Librens |
| 3-Cyclopropylmethoxy-4-(4-methanesulfonylphenyl)-5,5-dimethyl-5H-furan-2-one |
| 3-(cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]furan-2(5H)-one |
