Determination and Temperature Dependence of n-Octanol/Water Partition Coefficients for Seven Sulfonamides from (298.15 to 333.15) K

doi:10.5012/bkcs.2007.28.7.1183

Cited by 25 publications

(2 citation statements)

References 15 publications

(12 reference statements)

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“…The temperature inside the NMR probe, according to Magritek, is ∼27.5 °C, but the corresponding error can be neglected because the measurement is fast (≤10 min) and the mass exchange across the phase boundary in the NMR tube is slow. For the effect of temperature on log K OW , see the literature. ,,,, …”

Section: Methodsmentioning

confidence: 99%

Octanol–Water Partition Coefficient Measurement by a Simple ¹H NMR Method

2017

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We describe a simple miniature shake-flask method to measure the octanol–water partition coefficient of an organic compound. Partition between water and octanol is performed in an NMR tube; the aqueous phase is analyzed by 1 H NMR spectroscopy using a benchtop low-field NMR instrument. Neither pre-equilibration of solvents nor isolation of the two phases is required. The procedure is fast and easy enough to be used in a students’ laboratory. Scope and limitations as well as possible sources of error are discussed in detail.

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Section: Methodsmentioning

confidence: 99%

Octanol–Water Partition Coefficient Measurement by a Simple ¹H NMR Method

2017

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“…Therefore, octanol-water partition coefficient best represents the behavior of a drug compound toward a membrane. The 1-octanol/water partition coefficient of the ER was measured by shake-flask method ( Congliang et al, 2007 ). Before performing the experiments, both solvents were mutually saturated.…”

Section: Introductionmentioning

confidence: 99%

Development and optimization of nanoparticles loaded with erucin, a dietary isothiocyanate isolated from Eruca sativa: Antioxidant and antiproliferative activities in ehrlich-ascites carcinoma cell line

Singh

Attri

et al. 2023

Front. Pharmacol.

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The study on Erucin (ER) has gained interest of nutraceutical and pharmaceutical industries because of its anti-cancer properties. Erucin is an isothiocyanate obtained from the seeds of Eruca sativa which possess certain drawbacks such as poor aqueous solubility and bioavailability. Therefore, the present study aimed at developing ER-cubosomes (CUB) by solvent evaporation technique followed by applying Central Composite Design to optimize ER loaded cubosomes. For this purpose, independent variables selected were Monoolein (MO) as lipid and Pluronic-84 (P-84) as a stabilizer whereas dependent variables were particle size, percentage of ER loading and percentage of its entrapment efficiency. The cubosomal nanocarriers exhibited particle size in the range of 26 nm, entrapment efficiency of 99.12 ± 0.04% and drug loading of 3.96 ± 0.0001%. Furthermore, to investigate the antioxidant potential, we checked the effect of ER and ER-CUB by DNA nicking assay, DDPH assay and Phosphomolybdate assay, and results showed significant improvement in antioxidant potential for ER-CUB than ER. Similarly, ER-CUB showed enhanced anticancer activity with a marked reduction in IC50 value than ER in MTT assay. These results suggested that ER-CUB produced notable escalation in antioxidant potential and enhanced anticancer activity than ER.

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Searching for “Greener” Bioequivalents of CF₃ to Lower its Environmental Impact

Minneci,

Misevicius,

Rozas

2024

Chemistry A European J

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Considering the broad use of the trifluoromethyl functional group (‐CF3) in medicinal chemistry and taking into account the recent concerns on the negative environmental effects of CF3 containing compounds, we are searching for “greener” alternatives. Thus, different chemical groups (i.e. iodide, fluoride, cyclopropyl, isopropyl, cyclobutyl, 3‐oxetyl, 2‐oxetyl, methylsulfide, pentafluorosulfide, methylsulfonyl and sulfonamide) have been considered as potential bioequivalents of ‐CF3 aiming to use them in compounds with therapeutic interest instead of the polyfluoride functionality. Different structural (molecular surface and volume) and physicochemical (electronic and lipophilic) aspects of the bioequivalent functionalities proposed have been theoretically calculated and compared to those of ‐CF3. Additionally, the corresponding phenyl derivatives carrying these functionalities have been purchased or prepared and their experimental lipophilicity (i.e. LogP) measured using shake‐flask experiments and UV‐vis spectroscopy.

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Determination and Temperature Dependence of n-Octanol/Water Partition Coefficients for Seven Sulfonamides from (298.15 to 333.15) K

Cited by 25 publications

References 15 publications

Octanol–Water Partition Coefficient Measurement by a Simple ¹H NMR Method

Octanol–Water Partition Coefficient Measurement by a Simple ¹H NMR Method

Development and optimization of nanoparticles loaded with erucin, a dietary isothiocyanate isolated from Eruca sativa: Antioxidant and antiproliferative activities in ehrlich-ascites carcinoma cell line

Searching for “Greener” Bioequivalents of CF₃ to Lower its Environmental Impact

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Determination and Temperature Dependence of n-Octanol/Water Partition Coefficients for Seven Sulfonamides from (298.15 to 333.15) K

Cited by 25 publications

References 15 publications

Octanol–Water Partition Coefficient Measurement by a Simple 1H NMR Method

Octanol–Water Partition Coefficient Measurement by a Simple 1H NMR Method

Development and optimization of nanoparticles loaded with erucin, a dietary isothiocyanate isolated from Eruca sativa: Antioxidant and antiproliferative activities in ehrlich-ascites carcinoma cell line

Searching for “Greener” Bioequivalents of CF3 to Lower its Environmental Impact

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Octanol–Water Partition Coefficient Measurement by a Simple ¹H NMR Method

Octanol–Water Partition Coefficient Measurement by a Simple ¹H NMR Method

Searching for “Greener” Bioequivalents of CF₃ to Lower its Environmental Impact