Aliskiren

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Aliskiren
(IUPAC) ime
(2S,4S,5S,7S)-5-amino-N-(2-karbamoil-2,2-dimetiletil)-4-hidroksi-7[4-metoksi-3-(3-metoksipropoksi)fenil]metil8-metil-2-(propan-2-il)nonanamid
Klinički podaci
AHFS/Drugs.com Monografija
MedlinePlus a607039
Identifikatori
CAS broj 173334-57-1
ATC kod C09XA02
C09XA52 (sa HCT)
PubChem[1][2] 5493444
DrugBank DB01258
ChemSpider[3] 4591452
UNII 502FWN4Q32 YesY
KEGG[4] D03208 YesY
ChEBI CHEBI:601027 YesY
ChEMBL[5] CHEMBL1639 YesY
Hemijski podaci
Formula C30H53N3O6 
Mol. masa 551,758 g/mol
SMILES eMolekuli & PubHem
Farmakokinetički podaci
Bioraspoloživost niska (oko 2,5%)
Metabolizam Hepatički, CYP3A4-posredovano
Poluvreme eliminacije 24 sata
Izlučivanje Renalno
Farmakoinformacioni podaci
Licenca

EU EMEA:linkUS FDA:link

Trudnoća ?
Pravni status POM (UK) -only (SAD)
Način primene PO (oralno)

Aliskiren (Tekturna (SAD); Rasilez (UK i druge zemlje)) prvi je u klasi lekova koji se nazivaju direktnim reninskim inhibitorima. Njegova trenutna licencirana indikacija je primarna hipertenzija.

Aliskiren su razvila preduzeća Novartis i Speedel.[6][7] On je odobren u SAD 2007. za tretman primarne hipertenzije.

Osobine[uredi - уреди | uredi izvor]

Osobina Vrednost
Broj akceptora vodonika 7
Broj donora vodonika 4
Broj rotacionih veza 19
Particioni koeficijent[8] (ALogP) 3,3
Rastvorljivost[9] (logS, log(mol/L)) -7,5
Polarna površina[10] (PSA, Å2) 146,1

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. Gradman A, Schmieder R, Lins R, Nussberger J, Chiang Y, Bedigian M (2005). "Aliskiren, a novel orally effective renin inhibitor, provides dose-dependent antihypertensive efficacy and placebo-like tolerability in hypertensive patients". Circulation 111 (8): 1012–8. PMID 15723979. doi:10.1161/01.CIR.0000156466.02908.ED. 
  7. Straessen JA, Li Y, and Richart T (2006). "Oral Renin Inhibitors". Lancet 368 (9545): 1449–56. PMID 17055947. doi:10.1016/S0140-6736(06)69442-7. 
  8. 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. 
  9. 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. 
  10. 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. 

Spoljašnje veze[uredi - уреди | uredi izvor]

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