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Fingolimod

Fingolimod
Klinički podaci
Drugs.comMonografija
Način primeneOralno
Farmakokinetički podaci
Poluvreme eliminacije6-9 dana
Identifikatori
CAS broj162359-55-9 ДаY
ATC kodL04AA27 (WHO)
PubChemCID 107970
DrugBankDB08868 ДаY
ChemSpider97087 ДаY
ChEBICHEBI:63115 ДаY
ChEMBLCHEMBL314854 ДаY
Hemijski podaci
FormulaC19H33NO2
Molarna masa307,471
  • CCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1
  • InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3 ДаY
  • Key:KKGQTZUTZRNORY-UHFFFAOYSA-N ДаY
Fizički podaci
Tačka ključanja4.794 °C (8.661 °F)

Fingolimod je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 307,471 Da.[1][2][3][4][5]

Osobina Vrednost
Broj akceptora vodonika 3
Broj donora vodonika 3
Broj rotacionih veza 12
Particioni koeficijent[6] (ALogP) 4,2
Rastvorljivost[7] (logS, log(mol/L)) -6,1
Polarna površina[8] (PSA, Å2) 66,5
  1. ^ An X, Kezuka T, Usui Y, Matsunaga Y, Matsuda R, Yamakawa N, Goto H: Suppression of Experimental Autoimmune Optic Neuritis by the Novel Agent Fingolimod. J Neuroophthalmol. 2013 Apr 19. PMID 23609767
  2. ^ Ali R, Nicholas RS, Muraro PA: Drugs in Development for Relapsing Multiple Sclerosis. Drugs. 2013 Apr 23. PMID 23609782
  3. ^ http://dailymed.nlm.nih.gov/dailymed/lookup.cfm?setid=cc9e1c8c-0e2b-44e2-878b-27057f786be9nlm34090-1
  4. ^ 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. PMC 3013709Слободан приступ. PMID 21059682. doi:10.1093/nar/gkq1126.  уреди
  5. ^ David S. Wishart; Craig Knox; An Chi Guo; Dean Cheng; Savita Shrivastava; Dan Tzur; Bijaya Gautam; Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic acids research. 36 (Database issue): D901—6. PMC 2238889Слободан приступ. PMID 18048412. doi:10.1093/nar/gkm958.  уреди
  6. ^ Ghose, A.K.; Viswanadhan V.N. & 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.  уреди
  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.  уреди

Spoljašnje veze

[уреди | уреди извор]


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Fingolimod
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