Asimetrični dimetilarginin

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Asimetrični dimetilarginin
Identifikacija
CAS registarski broj 102783-24-4 ДаY
PubChem[1][2] 123831
ChemSpider[3] 487 ДаY
DrugBank DB01686
KEGG[4] C03626
ChEBI 17929
ChEMBL[5] CHEMBL457530 ДаY
Jmol-3D slike Slika 1
Svojstva
Molekulska formula C8H18N4O2
Molarna masa 202.25 g mol−1

 ДаY (šta je ovo?)   (verifikuj)

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

Asimetrični dimetilarginin je organsko jedinjenje, koje sadrži 8 atoma ugljenika i ima molekulsku masu od 202,254 Da.[6][7][8]

Osobine[уреди]

Osobina Vrednost
Broj akceptora vodonika 6
Broj donora vodonika 3
Broj rotacionih veza 6
Particioni koeficijent[9] (ALogP) -3,4
Rastvorljivost[10] (logS, log(mol/L)) -1,0
Polarna površina[11] (PSA, Å2) 104,9

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. 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. doi:10.1093/nar/gkr777. PMID 21948594  edit
  6. van Guldener C, Nanayakkara PW, Stehouwer CD: Review: Homocysteine and asymmetric dimethylarginine (ADMA): biochemically linked but differently related to vascular disease in chronic kidney disease. Clin Chem Lab Med. 2007 Oct 15;. PMID 17937610
  7. 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 
  8. 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 
  9. 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 
  10. 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 
  11. 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]