Estimation of lipophilicity data for derivatives of alkandiamine-N,N '-di-2-(3-cyclohexyl) propanoic acid with potential antineoplastic activity, by UHPLC-MS method
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Tubić, BiljanaMarković, Bojan
Vladimirov, Sote
Savić, Aleksandar
Poljarević, Jelena
Sabo, Tibor
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During the early stages of drug discovery, it is very important to determine lipophilicity and to investigate and predict processes of drug distribution and resorption in human body, i.e. their bioavailability. Novel fourteen compounds representing ester derivatives of (S,S')-1,2-ethanediamme-N,N'-di-2-(3-cyclohexyl)propanoic and (S,S)-1,3-propanediamine-N,N'-di-2-(3-cyclohexyl)propanoic acids, expressing antiproliferative activity in vitro were examined. The objective of this study was to estimation a lipophilicity data of observed fourteen compounds by ultra-high performance liquid chromatographic tandem mass spectrometry (UHPLC-MS) method. It was used gradient and isocratic method to obtain chromatographic parameters of lipophilicity/hydrophobicity, which are needed for calculated logP values. Results of lipophilicity data for observed 14 compounds, which were obtained by UHPLC-MS method and presented in this paper, are showed that the derivatives of 1,2 ethandiamine-N,N'-di-2-(3-cy...clohexyl) propanoic acid have higer values of logP, than derivatives of 1,3-propanediamine-N,N'-di-2-(3-cyclohexyl) propanoic acid. Also, value of lipophilicity data for each of investigated compounds depends on the length of the alkyl chain on the esters bounds. Branching of the alkyl chain on the esters bounds has insignificant influence on the values of lipophilicity/hydrophobicity.
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Proceedings of the International Conference on Medical and Biological Engineering 2017 (Cmbebih 2017, 2017, 62, 402-409Publisher:
- Springer-Verlag Singapore Pte Ltd, Singapore
DOI: 10.1007/978-981-10-4166-2_62
ISSN: 1680-0737
WoS: 000462537100062
Scopus: 2-s2.0-85016037413
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PharmacyTY - CONF AU - Tubić, Biljana AU - Marković, Bojan AU - Vladimirov, Sote AU - Savić, Aleksandar AU - Poljarević, Jelena AU - Sabo, Tibor PY - 2017 UR - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2961 AB - During the early stages of drug discovery, it is very important to determine lipophilicity and to investigate and predict processes of drug distribution and resorption in human body, i.e. their bioavailability. Novel fourteen compounds representing ester derivatives of (S,S')-1,2-ethanediamme-N,N'-di-2-(3-cyclohexyl)propanoic and (S,S)-1,3-propanediamine-N,N'-di-2-(3-cyclohexyl)propanoic acids, expressing antiproliferative activity in vitro were examined. The objective of this study was to estimation a lipophilicity data of observed fourteen compounds by ultra-high performance liquid chromatographic tandem mass spectrometry (UHPLC-MS) method. It was used gradient and isocratic method to obtain chromatographic parameters of lipophilicity/hydrophobicity, which are needed for calculated logP values. Results of lipophilicity data for observed 14 compounds, which were obtained by UHPLC-MS method and presented in this paper, are showed that the derivatives of 1,2 ethandiamine-N,N'-di-2-(3-cyclohexyl) propanoic acid have higer values of logP, than derivatives of 1,3-propanediamine-N,N'-di-2-(3-cyclohexyl) propanoic acid. Also, value of lipophilicity data for each of investigated compounds depends on the length of the alkyl chain on the esters bounds. Branching of the alkyl chain on the esters bounds has insignificant influence on the values of lipophilicity/hydrophobicity. PB - Springer-Verlag Singapore Pte Ltd, Singapore C3 - Proceedings of the International Conference on Medical and Biological Engineering 2017 (Cmbebih 2017 T1 - Estimation of lipophilicity data for derivatives of alkandiamine-N,N '-di-2-(3-cyclohexyl) propanoic acid with potential antineoplastic activity, by UHPLC-MS method VL - 62 SP - 402 EP - 409 DO - 10.1007/978-981-10-4166-2_62 ER -
@conference{ author = "Tubić, Biljana and Marković, Bojan and Vladimirov, Sote and Savić, Aleksandar and Poljarević, Jelena and Sabo, Tibor", year = "2017", abstract = "During the early stages of drug discovery, it is very important to determine lipophilicity and to investigate and predict processes of drug distribution and resorption in human body, i.e. their bioavailability. Novel fourteen compounds representing ester derivatives of (S,S')-1,2-ethanediamme-N,N'-di-2-(3-cyclohexyl)propanoic and (S,S)-1,3-propanediamine-N,N'-di-2-(3-cyclohexyl)propanoic acids, expressing antiproliferative activity in vitro were examined. The objective of this study was to estimation a lipophilicity data of observed fourteen compounds by ultra-high performance liquid chromatographic tandem mass spectrometry (UHPLC-MS) method. It was used gradient and isocratic method to obtain chromatographic parameters of lipophilicity/hydrophobicity, which are needed for calculated logP values. Results of lipophilicity data for observed 14 compounds, which were obtained by UHPLC-MS method and presented in this paper, are showed that the derivatives of 1,2 ethandiamine-N,N'-di-2-(3-cyclohexyl) propanoic acid have higer values of logP, than derivatives of 1,3-propanediamine-N,N'-di-2-(3-cyclohexyl) propanoic acid. Also, value of lipophilicity data for each of investigated compounds depends on the length of the alkyl chain on the esters bounds. Branching of the alkyl chain on the esters bounds has insignificant influence on the values of lipophilicity/hydrophobicity.", publisher = "Springer-Verlag Singapore Pte Ltd, Singapore", journal = "Proceedings of the International Conference on Medical and Biological Engineering 2017 (Cmbebih 2017", title = "Estimation of lipophilicity data for derivatives of alkandiamine-N,N '-di-2-(3-cyclohexyl) propanoic acid with potential antineoplastic activity, by UHPLC-MS method", volume = "62", pages = "402-409", doi = "10.1007/978-981-10-4166-2_62" }
Tubić, B., Marković, B., Vladimirov, S., Savić, A., Poljarević, J.,& Sabo, T.. (2017). Estimation of lipophilicity data for derivatives of alkandiamine-N,N '-di-2-(3-cyclohexyl) propanoic acid with potential antineoplastic activity, by UHPLC-MS method. in Proceedings of the International Conference on Medical and Biological Engineering 2017 (Cmbebih 2017 Springer-Verlag Singapore Pte Ltd, Singapore., 62, 402-409. https://doi.org/10.1007/978-981-10-4166-2_62
Tubić B, Marković B, Vladimirov S, Savić A, Poljarević J, Sabo T. Estimation of lipophilicity data for derivatives of alkandiamine-N,N '-di-2-(3-cyclohexyl) propanoic acid with potential antineoplastic activity, by UHPLC-MS method. in Proceedings of the International Conference on Medical and Biological Engineering 2017 (Cmbebih 2017. 2017;62:402-409. doi:10.1007/978-981-10-4166-2_62 .
Tubić, Biljana, Marković, Bojan, Vladimirov, Sote, Savić, Aleksandar, Poljarević, Jelena, Sabo, Tibor, "Estimation of lipophilicity data for derivatives of alkandiamine-N,N '-di-2-(3-cyclohexyl) propanoic acid with potential antineoplastic activity, by UHPLC-MS method" in Proceedings of the International Conference on Medical and Biological Engineering 2017 (Cmbebih 2017, 62 (2017):402-409, https://doi.org/10.1007/978-981-10-4166-2_62 . .