Pinacidil
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| Pinacidil | |||
|---|---|---|---|
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| Identifikacija | |||
| CAS registarski broj | 85371-64-8  |
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| PubChem[1][2] | 4826 | ||
| UNII | BB4UGO5K0D |
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| ChEMBL[3] | CHEMBL1159 |
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| Jmol-3D slike | Slika 1 | ||
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| Svojstva | |||
| Molekulska formula | C13H19N5 | ||
| Molarna masa | 245.32 g mol−1 | ||
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| Infobox references | |||
Pinacidil je organsko jedinjenje, koje sadrži 13 atoma ugljenika i ima molekulsku masu od 245,323 Da.
Sadržaj/Садржај
Osobine[uredi - уреди | uredi izvor]
| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 5 |
| Broj donora vodonika | 2 |
| Broj rotacionih veza | 5 |
| Particioni koeficijent[4] (ALogP) | 1,8 |
| Rastvorljivost[5] (logS, log(mol/L)) | -4,0 |
| Polarna površina[6] (PSA, Å2) | 73,1 |
Reference[uredi - уреди | uredi izvor]
- ↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). "PubChem as a public resource for drug discovery.". Drug Discov Today 15 (23-24): 1052–7. PMID 20970519. doi:10.1016/j.drudis.2010.10.003.
- ↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). "Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities". Annual Reports in Computational Chemistry 4: 217–241. doi:10.1016/S1574-1400(08)00012-1.
- ↑ Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). "ChEMBL: a large-scale bioactivity database for drug discovery". Nucleic Acids Res 40 (Database issue): D1100–7. PMID 21948594. doi:10.1093/nar/gkr777.
- ↑ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). "Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods". J. Phys. Chem. A 102: 3762–3772. doi:10.1021/jp980230o.
- ↑ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). "Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices". Chem Inf. Comput. Sci. 41: 1488–1493. PMID 11749573. doi:10.1021/ci000392t.
- ↑ Ertl P., Rohde B., Selzer P. (2000). "Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties". J. Med. Chem. 43: 3714–3717. PMID 11020286. doi:10.1021/jm000942e.
Literatura[uredi - уреди | uredi izvor]
- Clayden Jonathan, Nick Greeves, Stuart Warren, Peter Wothers (2001). Organic chemistry. Oxford, Oxfordshire: Oxford University Press. ISBN 0-19-850346-6. http://www.organic-chemistry.org/books/reviews/0198503466.shtm.
- Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th izd.). New York: Wiley-Interscience. ISBN 0-471-72091-7. http://books.google.com/books?id=JDR-nZpojeEC&printsec=frontcover.
- Katritzky A.R., Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry. Academic Press. ISBN 0080429882.
