Rm values of phenols. Their relation with log P values and activity

1975 ◽  
Vol 18 (9) ◽  
pp. 868-873 ◽  
Author(s):  
G. L. Biagi ◽  
O. Gandolfi ◽  
M. C. Guerra ◽  
A. M. Barbaro ◽  
G. Cantelli-Forti
Keyword(s):  
Log P ◽  
P Values

Multiscale study on the enhancing effect and mechanism of borneolum on transdermal permeation of drugs with different log P values and molecular sizes

2020 ◽  
Vol 580 ◽  
pp. 119225
Author(s):  
Chang Yang ◽  
Shujuan Guo ◽  
Xiaowen Wu ◽  
Pengshuo Yang ◽  
Lu Han ◽  
...  
Keyword(s):  
Log P ◽  
P Values ◽  
Enhancing Effect ◽  
Transdermal Permeation ◽  
Molecular Sizes

scholarly journals Preparation and Hydro-Lipophilic Properties of Selected Novel Chlorinated and Brominated N-Arylcinnamamides

Proceedings ◽  
2019 ◽  
Vol 41 (1) ◽  
pp. 11
Author(s):  
Tomas Strharsky ◽  
Timotej Jankech ◽  
Jiri Kos ◽  
Kristina Maricakova ◽  
Andrea Pramukova ◽  
...  
Keyword(s):  
High Performance ◽  
Chemical Structure ◽  
Antimicrobial Agents ◽  
Reversed Phase ◽  
Log P ◽  
Organic Modifier ◽  
Chromatography Method ◽  
P Values ◽  
Liquid Chromatography Method ◽  
Derivatives Of

A series of six di- and tri-halogenated N-arylcinnamanilides designed as anti-inflammatory and antimicrobial agents was prepared and characterized. Since it is known that lipophilicity significantly influences the biological activity of compounds, the hydro-lipophilic properties of these di- and tri-substituted N-arylcinnamanilides were investigated in the study. All the discussed derivatives of cinnamic acid were analyzed using the reversed-phase high performance liquid chromatography method to measure lipophilicity. The procedure was performed under isocratic conditions with methanol as an organic modifier in the mobile phase using an end-capped non-polar C18 stationary reversed-phase column. In the present study, the correlations between the logarithm of the capacity factor k and log P/Clog P values calculated in various ways as well as the relationships between the lipophilicity and the chemical structure of the studied compounds are discussed.

scholarly journals The distance to the Large Magellanic Cloud from first overtone RR Lyrae variables

2004 ◽  
Vol 193 ◽  
pp. 180-183
Author(s):  
A.V. Muzzin ◽  
C.M. Clement ◽  
D.R. Alves ◽  
Keyword(s):  
Fourier Coefficients ◽  
Large Magellanic Cloud ◽  
Light Curves ◽  
Log P ◽  
Distance Modulus ◽  
P Values ◽  
Rr Lyrae ◽  
Visual Distance ◽  
Bona Fide ◽  
Absolute Magnitudes

AbstractFourier coefficients have been derived for the V and R light curves of 330 bona fide RR Lyrae first-overtone (RR1) pulsators in 16 MACHO fields near the bar of the LMC. We use the Fourier phase parameter ɸ31 and log P values to select a subsample of these stars which are similar to the RR1s in the Galactic globular cluster M5. Assuming that the M5-like stars in the LMC have absolute magnitudes comparable to the HB stars in M5, we use independent studies to derive their mean absolute V magnitude and compute a visual distance modulus of μLMC = 18.43 ± 0.06 (statistical) ±0.16 (systematic). By selecting stars on the basis of their light curve parameters, we are able to derive a distance modulus that does not depend on the somewhat poorly determined Mv – [Fe/H] relation for RR Lyr stars.

scholarly journals Preparation and Hydro-Lipophilic Properties of Methoxylated and Methylated 1-Hydroxynaphthalene-2-Carboxanilides

Proceedings ◽  
2018 ◽  
Vol 9 (1) ◽  
pp. 43 ◽  
Author(s):  
Iva Kapustikova ◽  
Tomas Gonec ◽  
Jiri Kos ◽  
Ewelina Spaczynska ◽  
Michal Oravec ◽  
...  
Keyword(s):  
Mobile Phase ◽  
High Performance ◽  
Chemical Structure ◽  
Reversed Phase ◽  
Log P ◽  
Organic Modifier ◽  
Chromatography Method ◽  
P Values ◽  
Liquid Chromatography Method ◽  
Substituted 1

A series of variously methoxylated and methylated N-aryl-1-hydroxynaphthalene-2-carboxanilides was prepared and characterized as potential anti-invasive agents. As it is known that lipophilicity significantly influences the biological activity of compounds, the hydro-lipophilic properties of these mono-, di- and tri-substituted 1-hydroxynaphthalene-2-carboxanilides are investigated in the study. All the discussed hydroxynaphthalene derivatives were analyzed using the reversed-phase, high-performance liquid chromatography method, to measure lipophilicity. The procedure was performed under isocratic conditions with methanol as an organic modifier in the mobile phase, using an end-capped, non-polar C18 stationary reversed-phase column. The present study discusses the correlations between the logarithm of the capacity factor k and log P/Clog P values, calculated in various ways, as well as the relationships between the lipophilicity and the chemical structure of the studied compounds.

scholarly journals A comparative study concerning chromatographic retention and computed partition coefficients of some precursors of peraza crown ethers

2010 ◽  
Vol 8 (6) ◽  
pp. 1203-1209 ◽  
Author(s):  
Cristina Onişor ◽  
Gabriela Blăniţă ◽  
Maria Coroş ◽  
Monica Bucşa ◽  
Mircea Vlassa ◽  
...  
Keyword(s):  
Comparative Study ◽  
Crown Ethers ◽  
Partition Coefficients ◽  
High Performance ◽  
Correlation Coefficients ◽  
Reversed Phase ◽  
Neural Network Modeling ◽  
Log P ◽  
Chromatographic Retention ◽  
P Values

AbstractRetention indices for some precursors of peraza crown ethers were determined by reversed phase high-performance thin layer chromatography on RP-18 plates with methanol-water in different volume proportions as mobile phase. The Log P values for the same compounds were calculated using different computer programs: SciQSAR, SciLogP, Chem3D Ultra 8.0, XLOGP (based on atom contributions), Chemaxon and KOWWIN (based on atom/fragment contributions), cLogP (based on fragmental contributions), ALOGPS and IAlogP (based on atom-type electrotopological-state indices and neural network modeling). A comparative study concerning lipophilic parameters (RM0, b and ϕ0) and computed partition coefficients has been developed. Taking into account the correlation coefficients between determined and calculated Log P values, it seems that RM0 and b are less suitable than ϕ0 for estimating lipophilicity of the compounds investigated, and cLogP and ALOGPS provide the best correlations with experimental values.

Water–Solvent Partition Coefficients and Δ Log P Values as Predictors for Blood–Brain Distribution; Application of the Akaike Information Criterion

2010 ◽  
Vol 99 (5) ◽  
pp. 2492-2501 ◽  
Author(s):  
Michael H. Abraham ◽  
William E. Acree ◽  
Albert J. Leo ◽  
David Hoekman ◽  
Joseph E. Cavanaugh
Keyword(s):  
Akaike Information Criterion ◽  
Partition Coefficients ◽  
Information Criterion ◽  
Log P ◽  
Brain Distribution ◽  
P Values ◽  
Water Solvent ◽  
Blood Brain

TOPOCHEMICAL MODELS FOR THE PREDICTION OF LIPOPHILICITY OF 1,3-DISUBSTITUTED PROPAN-2-ONE ANALOGS

2007 ◽  
Vol 06 (03) ◽  
pp. 435-448 ◽  
Author(s):  
HARISH DUREJA ◽  
VIPIN KUMAR ◽  
SUNIL GUPTA ◽  
ANIL KUMAR MADAN
Keyword(s):  
Log P ◽  
Molecular Connectivity ◽  
Data Set ◽  
Test Set ◽  
P Values ◽  
Independent Test ◽  
Wiener’S Topochemical Index ◽  
Leave One Out ◽  
Eccentric Connectivity Topochemical Index ◽  
Molecular Connectivity Topochemical Index

In the present study, the relationship between the topochemical indices and log P values of 1,3-disubstituted propan-2-one analogs has been investigated. Three topochemical indices, Wiener's topochemical index — a distance-based topochemical descriptor, molecular connectivity topochemical index — an adjacency-based topochemical descriptor, and eccentric connectivity topochemical index — an adjacency-cum-distance-based topochemical descriptor, were used for the present investigation. The values of the Wiener's topochemical index, molecular connectivity topochemical index, and eccentric connectivity topochemical index were computed for each of the 45 analogs constituting the data set using an in-house computer program. The predicted log P values using leave-one-out (LOO) procedure exhibited a q2 of 0.72, 0.70, and 0.71 with reported log P values for Wiener's topochemical index, molecular connectivity topochemical index, and eccentric connectivity topochemical index, respectively. Separate models were developed using training set and log P of each analog in the independent test set was predicted using these models. The correlation of predicted log P values with the reported values, for independent test set, were in good agreement with those predicted using LOO procedure.

Hydrophobicity parameters (Log P) of glycoconjugated porphyrins for photodynamic therapy evaluated by reversed phase HPLC

2004 ◽  
Vol 08 (11) ◽  
pp. 1289-1292 ◽  
Author(s):  
Shiho Hirohara ◽  
Makoto Obata ◽  
Shun-ichiro Ogura ◽  
Ichiro Okura ◽  
Suguru Higashida ◽  
...  
Keyword(s):  
High Performance Liquid Chromatography ◽  
Photodynamic Therapy ◽  
High Performance ◽  
Reversed Phase ◽  
Log P ◽  
P Value ◽  
Reversed Phase Hplc ◽  
Free Base ◽  
P Values ◽  
Rp Hplc

Photodynamic therapy (PDT) is one of the most effective treatments for cancer. We synthesized and characterized a series of 16 glycoconjugated porphyrins using a modification of the Lindsey method in the presence of Zn ( OAc )2·2 H 2 O as a template. The Zn 2+ ion template strategy improved the yield about 3-fold in the case of meta-substituted tetraphenylporphyrins, and free-base porphyrins were obtaind almost quantitatively by demetalation with 4 M HCl . The hydrophobicity parameter (Log P) of these porphyrins was evaluated by reversed phase high-performance liquid chromatography (RP-HPLC). The Log P values ranged from +4.8 to +7.8, so that most of the compounds are amphiphilic. The effect of the glycopyranosyl unit on the hydrophobicity of these compounds is discussed on the basis of the Log P value.

Investigation of the Lipophilicity of Antiphlogistic Pyrazole Derivatives: Relationships Between Log Kw and Log P Values of 5-Arylamino and Arylhydrazono-3-Methyl-4-Nitro-1-Phenylpyrazoles

1991 ◽  
Vol 14 (6) ◽  
pp. 1161-1171 ◽  
Author(s):  
A. L. Pereira ◽  
E. J. L. Barreiro ◽  
A. C. C. Freitas ◽  
C. J. C. Correa ◽  
L. N. L. F. Gomes
Keyword(s):  
Log P ◽  
Pyrazole Derivatives ◽  
P Values
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