Tolrestat

Из Википедије, слободне енциклопедије
Tolrestat
Tolrestat.svg
Klinički podaci
Drugs.com Monografija
Identifikatori
CAS broj 82964-04-3 ДаY
ATC kod A10XA01 (WHO)
PubChem CID 53359
DrugBank DB02383 ДаY
ChemSpider 48194 ДаY
KEGG C01621 ДаY
ChEBI CHEBI:48549 ДаY
ChEMBL CHEMBL436 ДаY
Hemijski podaci
Formula C16H14F3NO3S
Molarna masa 357,347

Tolrestat je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 357,347 Da.[1][2][3][4]

Osobine[уреди]

Osobina Vrednost
Broj akceptora vodonika 4
Broj donora vodonika 1
Broj rotacionih veza 6
Particioni koeficijent[5] (ALogP) 4,0
Rastvorljivost[6] (logS, log(mol/L)) -6,4
Polarna površina[7] (PSA, Å2) 81,9

Reference[уреди]

  1. Sestanj K, Bellini F, Fung S, Abraham N, Treasurywala A, Humber L, Simard-Duquesne N, Dvornik D: N-[5-(trifluoromethyl)-6-methoxy-1-naphthalenyl]thioxomethyl]- N-methylglycine (Tolrestat), a potent, orally active aldose reductase inhibitor. J Med Chem. 1984 Mar;27(3):255-6. PMID 6422042
  2. Kador PF, Kinoshita JH, Sharpless NE: Aldose reductase inhibitors: a potential new class of agents for the pharmacological control of certain diabetic complications. J Med Chem. 1985 Jul;28(7):841-9. PMID 3925146
  3. 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 3013709слободно за читање. PMID 21059682.  edit
  4. 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. doi:10.1093/nar/gkm958. PMC 2238889слободно за читање. PMID 18048412.  edit
  5. 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. 
  6. 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
  7. 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]

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