NabumetoneCAS# 42924-53-8 |
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| Cas No. | 42924-53-8 | SDF | Download SDF |
| PubChem ID | 4409 | Appearance | Powder |
| Formula | C15H16O2 | M.Wt | 228.29 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Synonyms | BRL14777 | ||
| Solubility | DMSO : ≥ 100 mg/mL (438.04 mM) H2O : < 0.1 mg/mL (insoluble) *"≥" means soluble, but saturation unknown. | ||
| Chemical Name | 4-(6-methoxynaphthalen-2-yl)butan-2-one | ||
| SMILES | CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC | ||
| Standard InChIKey | BLXXJMDCKKHMKV-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3 | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | Nabumetone(BRL14777) is a non-steroidal anti-inflammatory drug and its active metabolite inhibits the COX.
Target: Others
Nabumetone is a nonsteroidal anti-inflammatory drug (NSAID) of the arylalkanoic acid family. Nabumetone itself is non-acidic and, following absorption, it undergoes extensive first-pass metabolism to form the main circulating active metabolite (6-MNA) which is a much more potent inhibitor of preferentially COX-2 [1].
Nabumetone displays acute anti-inflammatory activity in the carrageenan-induced oedema model in rats and the ultraviolet-induced erythema model in guinea-pigs. Its activity in these tests is greater than that of aspirin but less than that of naproxen and indomethacin. In the cotton pellet-induced granuloma model in the rat, Nabumetone is active and produces no signs of toxicity at doses much greater than the lowest effective dose, unlike aspirin, naproxen or indomethacin. Nabumetone is also active in the adjuvant-induced arthritis test in rats. In contrast to aspirin, indomethacin and naproxen, Nabumetone is well tolerated by the stomach of fasted rats at doses in excess of those with anti-inflammatory activity [2]. References: | |||||
Nabumetone Dilution Calculator
Nabumetone Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 4.3804 mL | 21.902 mL | 43.8039 mL | 87.6079 mL | 109.5098 mL |
| 5 mM | 0.8761 mL | 4.3804 mL | 8.7608 mL | 17.5216 mL | 21.902 mL |
| 10 mM | 0.438 mL | 2.1902 mL | 4.3804 mL | 8.7608 mL | 10.951 mL |
| 50 mM | 0.0876 mL | 0.438 mL | 0.8761 mL | 1.7522 mL | 2.1902 mL |
| 100 mM | 0.0438 mL | 0.219 mL | 0.438 mL | 0.8761 mL | 1.0951 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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Nabumetone is a non-steroidal anti-inflammatory drug and its active metabolite inhibits the COX.
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Conformational and entropy analyses of extended molecular dynamics simulations of alpha-, beta- and gamma-cyclodextrins and of the beta-cyclodextrin/nabumetone complex.[Pubmed:27982145]
Phys Chem Chem Phys. 2017 Jan 4;19(2):1431-1440.
Herein, we report the results of 5.0 mus molecular dynamics simulations of native alpha-, beta- and gamma-cyclodextrins (CDs) in explicit water solvent that are useful to describe, in a comparative manner, the distorted geometry of the CD molecules in aqueous solution, the width and fluctuations of their cavities, and the number of cavity waters. By discretizing the time evolution of the dihedral angles, the rate of conformational change of the torsional motions and the conformational entropy are calculated for the three CDs, thus allowing the analysis of the extent of the MD sampling and the entropic significance of the CD flexibility. To obtain a first estimation of the conformational and entropy changes in the host molecule upon ligand binding, the inclusion complex formed between beta-CD and Nabumetone is also studied. Overall, the simulations complement previous experimental results on the structure and dynamics of native CDs, and together with the results obtained for the inclusion complex, provide insight into the entropic effects at work on the binding equilibria between CDs and guest ligands.
Production of nabumetone nanoparticles: Effect of molecular weight, concentration and nature of cellulose ether stabiliser.[Pubmed:27693736]
Int J Pharm. 2016 Dec 5;514(2):428-444.
The ability of a range of hydrophilic nonionic cellulose ethers (CEs) (namely methylhydroxethylcellulose, hydroxypropylmethylcellulose, ethylhydroxyethylcellulose, hydroxyethylcellulose and hydroxypropylcellulose) to prepare stable Nabumetone nanoparticles (<1000nm, as measured by laser diffraction) using wet-bead milling has been investigated. Due to the limited range of CE molecular weights commercially available, the CEs were degraded using ultrasonication for varying lengths of time to yield CEs of lower molecular weight. Of the CEs tested, only hydroxyethylcellulose was found not to stabilise the production of Nabumetone nanoparticles at any of the molecular weights tested, namely viscosity average molecular weights (Mv) in the range of 236-33kg/mol. All other CEs successfully stabilised Nabumetone nanoparticles, with the lower molecular weight/viscosity polymers within a series being more likely to result in nanoparticle production than their higher molecular weight counterparts. Unfortunately due to the nature of the ultrasonication process, it was not possible to compare the size of Nabumetone particles produced using polymers of identical Mv. There was, however, enough similarity in the Mv of the various polymers to draw the general conclusion that there was no strong correlation between the Mv of the various polymers and their ability to produce nanoparticles. For example hydroxypropylcellulose of 112.2kg/mol or less successfully produced nanoparticles while only ethylhydroxyethylcellulose and hydroxypropylmethyl polymers of 52 and 38.8kg/mol or less produced nanoparticles. These results suggest that polymer molecular weight is not the only determinant of nanoparticle production and that structure of the polymer is at least as important as its molecular weight. In particular the hydrophobic nature of the CE was thought to be an important factor in the production of Nabumetone nanoparticles: the more hydrophobic the polymer, the stronger its interaction with Nabumetone and the greater its ability to produce nanoparticles. In this context HPC was the most hydrophobic polymer and HEC the least hydrophobic.
Pharmacokinetic and Pharmacodynamic Interaction of Andrographolide and Standardized Extract of Andrographis paniculata (Nees) with Nabumetone in Wistar Rats.[Pubmed:27714886]
Phytother Res. 2017 Jan;31(1):75-80.
The aim of the study was to investigate the herb-drug interaction of Andrographis paniculata Nees (Acanthaceae) and Andrographolide (AN) with Nabumetone (NAB) in wistar rats. Pharmacokinetic and pharmacodynamic interactions were studied after co-administration of APE and AN with NAB in Wistar rats. In pharmacokinetic studies, significant decrease in Cmax, AUC0-t and AUC0-infinity of 6-MNA after co-administration with pure AN and APE has been observed. Tmax of 6-MNA has been increased to 2 h from 1.5 h in AN + NAB treated group. Changes in mean residential time, clearance and volume of distribution of 6-MNA in APE + NAB treated group and AN + NAB treated group indicated interference of other components of APE other than AN. In pharmacodynamic study, significant decrease in antiarthritic activity of NAB on concomitant administration with APE and AN has been observed. The study concludes that NAB exhibits pharmacokinetic and pharmacodynamic interactions with APE and AN in rats thus alarms the concomitant use of herbal preparations containing APE and AN with NAB. Further study is needed to understand the mechanism and predict the herb-drug interaction in humans. Copyright (c) 2016 John Wiley & Sons, Ltd.
Nabumetone use and risk of acute pancreatitis in a case-control study.[Pubmed:27029853]
Pancreatology. 2016 May-Jun;16(3):353-7.
BACKGROUND: It remains unknown whether Nabumetone increases or decreases acute pancreatitis risk. To investigate this, we conducted a population-based case-control study using the database from the Taiwan National Health Insurance Program. METHODS: We analysed 5384 cases aged 20-84 years who had their first attack of acute pancreatitis during 1998-2011 and 21,536 controls without acute pancreatitis, and matched them according to sex, age and year in which acute pancreatitis was diagnosed. Never use of Nabumetone was defined as subjects who had never received a Nabumetone prescription; active use as subjects receiving a minimum of one prescription for Nabumetone within 7 days before acute pancreatitis diagnosis and non-active use of Nabumetone as subjects who did not receive a prescription for Nabumetone within 7 days before but received at least one prescription for Nabumetone >/=8 days before. The odds ratio and 95% confidence interval (CI) were estimated to investigate the risk of acute pancreatitis associated with Nabumetone use, using the multivariable unconditional logistic regression model. RESULTS: The adjusted odds ratio of acute pancreatitis was 3.69 (95%CI 1.69, 8.05) for subjects with active use of Nabumetone compared with those with never use. The odds ratios decreased to 1.0 (95%CI 0.88, 1.12) for subjects with non-active use. CONCLUSIONS: Active use of Nabumetone may increase the risk of acute pancreatitis.
