Kandesartan

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Kandesartan
(IUPAC) ime
2-etoksi-1-({4-[2-(2H-1,2,3,4-tetrazol-5-il)fenil]fenil}metil)-1H-1,3-benzodiazol-7-karboksilna kiselina
Klinički podaci
Robne marke Atacand
AHFS/Drugs.com Monografija
MedlinePlus a601033
Identifikatori
CAS broj 139481-59-7
ATC kod C09CA06
PubChem[1][2] 2541
DrugBank DB00796
ChemSpider[3] 2445
UNII S8Q36MD2XX YesY
KEGG[4] D00626 YesY
ChEBI CHEBI:3347 YesY
ChEMBL[5] CHEMBL1016 YesY
Hemijski podaci
Formula C24H20N6O3 
Mol. masa 440,45
SMILES eMolekuli & PubHem
Farmakokinetički podaci
Bioraspoloživost 15% (kandesartan cileksetil)
Metabolizam Kandesartan cileksetil: intestinalni zid; kandesartan: hepatički (CYP2C9)
Poluvreme eliminacije 9 sati
Izlučivanje Renalno 33%, fakalno 67%
Farmakoinformacioni podaci
Trudnoća D(AU)
Pravni status Prescription only
Način primene oralno

Kandesartan je antagonist angiotenzin II receptora koji se uglavnom koristi za tretman hipertenzije. Prolek kandesartan cileksetil prodaju preduzeća AstraZeneca i Takeda. Neka od prodajnih imena su: Blopress, Atacand, Amias, i Ratacand.

Osobine[uredi - уреди | uredi izvor]

Osobina Vrednost
Broj akceptora vodonika 7
Broj donora vodonika 2
Broj rotacionih veza 7
Particioni koeficijent[6] (ALogP) 4,6
Rastvorljivost[7] (logS, log(mol/L)) -6,5
Polarna površina[8] (PSA, Å2) 118,8

Sinteza[uredi - уреди | uredi izvor]

Kandesartan se sintetiše na sledeći način:[9]

Candesartan synth.png

Reference[uredi - уреди | uredi izvor]

  1. 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.  edit
  2. 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. 
  3. 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. PMID 20331846. doi:10.1186/1758-2946-2-3.  edit
  4. 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. 
  5. 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.  edit
  6. 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. 
  7. 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. 
  8. 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. 
  9. Kubo, K.; Kohara, Y.; Imamiya, E.; Sugiura, Y.; Inada, Y.; Furukawa, Y.; Nishikawa, K.; Naka, T. (1993). "Nonpeptide angiotensin II receptor antagonists. Synthesis and biological activity of benzimidazolecarboxylic acids". Journal of Medicinal Chemistry 36 (15): 2182–2195. PMID 8340921. doi:10.1021/jm00067a016. 
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