Dikumarol

Dikumarol
Klinički podaci
Prodajno imeAcadyl, Acavyl, Antitrombosin, Baracoumin
Drugs.comMonografija
Način primeneOralno
Identifikatori
CAS broj66-76-2 Зелена квачицаДа
ATC kodB01AA01 (WHO)
PubChemCID 653
DrugBankDB00266 Зелена квачицаДа
ChemSpider10183330 Зелена квачицаДа
KEGGC00796 Зелена квачицаДа
ChEBICHEBI:4513 Зелена квачицаДа
ChEMBLCHEMBL1466 Зелена квачицаДа

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

Osobine

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

  1. ^ Cullen JJ, Hinkhouse MM, Grady M, Gaut AW, Liu J, Zhang YP, Weydert CJ, Domann FE, Oberley LW (септембар 2003). „Dicumarol inhibition of NADPH:quinone oxidoreductase induces growth inhibition of pancreatic cancer via a superoxide-mediated mechanism”. Cancer Res. 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 (јул 2004). „Dicumarol, an inhibitor of ADP-ribosylation of CtBP3/BARS, fragments golgi non-compact tubular zones and inhibits intra-golgi transport”. Eur J Cell Biol. 83 (6): 263—79. PMID 15511084. 
  3. ^ Abdelmohsen K, Stuhlmann D, Daubrawa F, Klotz LO (фебруар 2005). „Dicumarol is a potent reversible inhibitor of gap junctional intercellular communication”. Arch Biochem Biophys. 434 (2): 241—7. PMID 15639223. 
  4. ^ Thanos CG, Liu Z, Reineke J, Edwards E, Mathiowitz E (јул 2003). „Improving relative bioavailability of dicumarol by reducing particle size and adding the adhesive poly(fumaric-co-sebacic) anhydride”. Pharm Res. 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, A. C.; Wishart, D. S. (2011). „DrugBank 3.0: A comprehensive resource for 'Omics' research on drugs”. Nucleic Acids Research. 39 (Database issue): D1035—D1041. PMC 3013709 Слободан приступ. PMID 21059682. doi:10.1093/nar/gkq1126. 
  6. ^ Wishart, David S.; Knox, Craig; Guo, An Chi; Cheng, Dean; Shrivastava, Savita; Tzur, Dan; Gautam, Bijaya; Hassanali, Murtaza (2008). „DrugBank: A knowledgebase for drugs, drug actions and drug targets”. Nucleic Acids Research. 36 (Database issue): D901—D906. PMC 2238889 Слободан приступ. PMID 18048412. doi:10.1093/nar/gkm958. 
  7. ^ Ghose, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods”. The Journal of Physical Chemistry A. 102 (21): 3762—3772. Bibcode:1998JPCA..102.3762G. doi:10.1021/jp980230o. 
  8. ^ Tetko, Igor V.; Tanchuk, Vsevolod Yu.; Kasheva, Tamara N.; Villa, Alessandro E. P. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Journal of Chemical Information and Computer Sciences. 41 (6): 1488—1493. PMID 11749573. doi:10.1021/ci000392t. 
  9. ^ Ertl, Peter; Rohde, Bernhard; Selzer, Paul (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”. Journal of Medicinal Chemistry. 43 (20): 3714—3717. PMID 11020286. doi:10.1021/jm000942e. 

Literatura

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