NifenazoneCAS# 2139-47-1 |
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Quality Control & MSDS
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| Cas No. | 2139-47-1 | SDF | Download SDF |
| PubChem ID | 4487 | Appearance | Powder |
| Formula | C17H16N4O2 | M.Wt | 308.33 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | DMSO : 16.67 mg/mL (54.07 mM; Need ultrasonic) H2O : 2 mg/mL (6.49 mM; Need ultrasonic) | ||
| Chemical Name | N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyridine-3-carboxamide | ||
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CN=CC=C3 | ||
| Standard InChIKey | BRZANEXCSZCZCI-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C17H16N4O2/c1-12-15(19-16(22)13-7-6-10-18-11-13)17(23)21(20(12)2)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22) | ||
| 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. | ||
Nifenazone Dilution Calculator
Nifenazone Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 3.2433 mL | 16.2164 mL | 32.4328 mL | 64.8656 mL | 81.082 mL |
| 5 mM | 0.6487 mL | 3.2433 mL | 6.4866 mL | 12.9731 mL | 16.2164 mL |
| 10 mM | 0.3243 mL | 1.6216 mL | 3.2433 mL | 6.4866 mL | 8.1082 mL |
| 50 mM | 0.0649 mL | 0.3243 mL | 0.6487 mL | 1.2973 mL | 1.6216 mL |
| 100 mM | 0.0324 mL | 0.1622 mL | 0.3243 mL | 0.6487 mL | 0.8108 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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Nifenazone is a drug that has been used as an analgesic for a number of rheumatic conditions
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The solvatochromic, spectral, and geometrical properties of nifenazone: a DFT/TD-DFT and experimental study.[Pubmed:24954054]
Phys Chem Chem Phys. 2014 Aug 7;16(29):15519-26.
The solvatochromic, spectral, and geometrical properties of Nifenazone (NIF), a pyrazole-nicotinamide drug, were experimentally and computationally investigated in several neat solvents and in hydro-organic binary systems such as water-acetonitrile and water-dioxane systems. The bathochromic spectral shift observed in NIF absorption spectra when reducing the polarity of the solvent was correlated with the orientation polarizability (Deltaf). Unlike aprotic solvents, a satisfactory correlation between lambda(max) and Deltaf was determined (linear correlation of regression coefficient, R, equal to 0.93) for polar protic solvents. In addition, the medium-dependent spectral properties were correlated with the Kamlet-Taft solvatochromic parameters (alpha, beta, and pi*) by applying a multiple linear regression analysis (MLRA). The results obtained from this analysis were then employed to establish MLRA relationships for NIF in order to estimate the spectral shift in different solvents, which in turn exhibited excellent correlation (R > 0.99) with the experimental values of nu(max). Density functional theory (DFT) and time-dependent DFT theory calculations coupled with the integral equation formalism-polarizable continuum model (IEF-PCM) were performed to investigate the solvent-dependent spectral and geometrical properties of NIF. The calculations showed good and poor agreements with the experimental results using the CAM-B3LYP and B3LYP functionals, respectively. Experimental and theoretical results confirmed that the chemical properties of NIF are strongly dependent on the polarity of the chosen medium and its hydrogen bonding capability. This in turn supports the hypothesis of the delocalization of the electron density within the pyrazole ring of NIF.
