Dikumarol

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Dikumarol
Dicumarol.svg
Klinički podaci
Prodajno ime Acadyl, Acavyl, Antitrombosin, Baracoumin
Drugs.com Monografija
Način primene Oralno
Identifikatori
CAS broj 66-76-2 ДаY
ATC kod B01AA01 (WHO)
PubChem CID 653
DrugBank DB00266 ДаY
ChemSpider 10183330 ДаY
KEGG C00796 ДаY
ChEBI CHEBI:4513 ДаY
ChEMBL CHEMBL1466 ДаY
Hemijski podaci
Formula C19H12O6
Molarna masa 336,295
Fizički podaci
Tačka topljenja 290 °C (554 °F)

Dikumarol je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 336,295 Da.[1][2][3][4][5][6]

Osobine[уреди]

Osobina Vrednost
Broj akceptora vodonika 6
Broj donora vodonika 2
Broj rotacionih veza 2
Particioni koeficijent[7] (ALogP) 2,8
Rastvorljivost[8] (logS, log(mol/L)) -3,6
Polarna površina[9] (PSA, Å2) 93,1

Reference[уреди]

  1. Cullen JJ, Hinkhouse MM, Grady M, Gaut AW, Liu J, Zhang YP, Weydert CJ, Domann FE, Oberley LW: Dicumarol inhibition of NADPH:quinone oxidoreductase induces growth inhibition of pancreatic cancer via a superoxide-mediated mechanism. Cancer Res. 2003 Sep 1;63(17):5513-20. PMID 14500388
  2. Mironov AA, Colanzi A, Polishchuk RS, Beznoussenko GV, Mironov AA Jr, Fusella A, Di Tullio G, Silletta MG, Corda D, De Matteis MA, Luini A: Dicumarol, an inhibitor of ADP-ribosylation of CtBP3/BARS, fragments golgi non-compact tubular zones and inhibits intra-golgi transport. Eur J Cell Biol. 2004 Jul;83(6):263-79. PMID 15511084
  3. Abdelmohsen K, Stuhlmann D, Daubrawa F, Klotz LO: Dicumarol is a potent reversible inhibitor of gap junctional intercellular communication. Arch Biochem Biophys. 2005 Feb 15;434(2):241-7. PMID 15639223
  4. Thanos CG, Liu Z, Reineke J, Edwards E, Mathiowitz E: Improving relative bioavailability of dicumarol by reducing particle size and adding the adhesive poly(fumaric-co-sebacic) anhydride. Pharm Res. 2003 Jul;20(7):1093-100. PMID 12880296
  5. 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. 
  6. Nucleic Acids Res (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic acids research 36 (Database issue): D901—6. doi:10.1093/nar/gkm958. PMC 2238889. PMID 18048412. 
  7. 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. 
  8. 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. 
  9. 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[уреди]

Spoljašnje veze[уреди]

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