Tagetitoksin

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Tagetitoksin
Identifikacija
CAS registarski broj 87913-21-1 YesY
PubChem[1][2] 5327077
ChemSpider[3] 103185 YesY
DrugBank DB04788
Jmol-3D slike Slika 1
Svojstva
Molekulska formula C11H17N2O11PS
Molarna masa 416.3 g mol−1

 YesY (šta je ovo?)   (verifikuj)

Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala

Infobox references

Tagetitoksin je organsko jedinjenje, koje sadrži 11 atoma ugljenika i ima molekulsku masu od 416,298 Da.[4][5][6][7][8][9]

Osobine[уреди]

Osobina Vrednost
Broj akceptora vodonika 13
Broj donora vodonika 6
Broj rotacionih veza 6
Particioni koeficijent[10] (ALogP) -5,4
Rastvorljivost[11] (logS, log(mol/L)) -0,1
Polarna površina[12] (PSA, Å2) 264,0

Reference[уреди]

  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. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519.  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. DOI:10.1186/1758-2946-2-3. PMID 20331846.  edit
  4. ^ Plet JR, Porter MJ: Synthesis of the bicyclic core of tagetitoxin. Chem Commun (Camb). 2006 Mar 21;(11):1197-9. Epub 2006 Feb 14. PMID 16518489
  5. ^ Vassylyev DG, Svetlov V, Vassylyeva MN, Perederina A, Igarashi N, Matsugaki N, Wakatsuki S, Artsimovitch I: Structural basis for transcription inhibition by tagetitoxin. Nat Struct Mol Biol. 2005 Dec;12(12):1086-93. Epub 2005 Nov 6. PMID 16273103
  6. ^ Mathews DE, Durbin RD: Mechanistic aspects of tagetitoxin inhibition of RNA polymerase from Escherichia coli. Biochemistry. 1994 Oct 4;33(39):11987-92. PMID 7918417
  7. ^ Steinberg TH, Mathews DE, Durbin RD, Burgess RR: Tagetitoxin: a new inhibitor of eukaryotic transcription by RNA polymerase III. J Biol Chem. 1990 Jan 5;265(1):499-505. PMID 2403565
  8. ^ 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.  edit
  9. ^ 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.  edit
  10. ^ 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. 
  11. ^ 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.  edit
  12. ^ 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.  edit

Literatura[уреди]

Spoljašnje veze[уреди]

Викимедија остава
Vikimedija ostava ima još multimedijalnih datoteka vezanih za: Tagetitoksin