Oksamnikvin
Klinički podaci | |||
---|---|---|---|
Robne marke | Mansil, Vansil | ||
AHFS/Drugs.com | Monografija | ||
Identifikatori | |||
CAS broj | 21738-42-1 | ||
ATC kod | P02BA02 | ||
PubChem[1][2] | 4612 | ||
DrugBank | DB01096 | ||
ChemSpider[3] | 4451 | ||
KEGG[4] | C07341 Y | ||
ChEMBL[5] | CHEMBL847 Y | ||
Hemijski podaci | |||
Formula | C14H21N3O3 | ||
Mol. masa | 279,335 | ||
SMILES | eMolekuli & PubHem | ||
| |||
Fizički podaci | |||
Tačka topljenja | 147-149 °C (-89 °F) | ||
Farmakokinetički podaci | |||
Poluvreme eliminacije | 1-2,5 h | ||
Farmakoinformacioni podaci | |||
Trudnoća | ? | ||
Pravni status |
Oksamnikvin je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 279,335 Da.[6][7][8]
Osobine
Osobina | Vrednost |
---|---|
Broj akceptora vodonika | 5 |
Broj donora vodonika | 3 |
Broj rotacionih veza | 5 |
Particioni koeficijent[9] (ALogP) | 1,8 |
Rastvorljivost[10] (logS, log(mol/L)) | -3,3 |
Polarna površina[11] (PSA, Å2) | 90,1 |
Stereokemija
Oxamnikin sadrži stereocentar i sastoji se od dva enantiomera. Ovo je racemat, tj. 1: 1 smjesa ( R ) i ( S ) - oblika:
Enantiomeri oksamikina | |
---|---|
(R)-oblik | (S)-oblik |
Reference
- ↑ 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. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519. edit
- ↑ 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.
- ↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846. edit
- ↑ Joanne Wixon, Douglas Kell (2000). „Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG”. Yeast 17 (1): 48–55. DOI:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H.
- ↑ 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. DOI:10.1093/nar/gkr777. PMID 21948594. edit
- ↑ Filho RP, de Souza Menezes CM, Pinto PL, Paula GA, Brandt CA, da Silveira MA: Design, synthesis, and in vivo evaluation of oxamniquine methacrylate and acrylamide prodrugs. Bioorg Med Chem. 2007 Feb 1;15(3):1229-36. Epub 2006 Nov 16. PMID 17134907
- ↑ Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011). „DrugBank 3.0: a comprehensive resource for omics research on drugs”. Nucleic Acids Res. 39 (Database issue): D1035-41. DOI:10.1093/nar/gkq1126. PMC 3013709. PMID 21059682.
- ↑ David S. Wishart, Craig Knox, An Chi Guo, Dean Cheng, Savita Shrivastava, Dan Tzur, Bijaya Gautam, and Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic Acids Res 36 (Database issue): D901-6. DOI:10.1093/nar/gkm958. PMC 2238889. PMID 18048412.
- ↑ 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. DOI:10.1021/ci000392t. PMID 11749573.
- ↑ 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. DOI:10.1021/jm000942e. PMID 11020286.
Literatura
- Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7.
- Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9.
Spoljašnje veze
Portal Medicina | |
Portal Hemija |
Oksamnikvin na Wikimedijinoj ostavi
- Oxamniquine