Pemirolast je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 228,210 Da.[1][2][3]

Pemirolast
Klinički podaci
Drugs.comMonografija
Način primeneOftalmički
Farmakokinetički podaci
Poluvreme eliminacije4,5 h
Identifikatori
CAS broj100299-08-9 ДаY
ATC kodNone
PubChemCID 57697
DrugBankDB00885 ДаY
ChemSpider51990 ДаY
ChEMBLCHEMBL1201198 ДаY
Hemijski podaci
FormulaC10H8N6O
Molarna masa228,210
  • CC1=CC=CN2C(=O)C(=CN=C12)C1=NNN=N1
  • InChI=1S/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15) ДаY
  • Key:HIANJWSAHKJQTH-UHFFFAOYSA-N ДаY

Osobine уреди

Osobina Vrednost
Broj akceptora vodonika 5
Broj donora vodonika 1
Broj rotacionih veza 1
Particioni koeficijent[4] (ALogP) -0,4
Rastvorljivost[5] (logS, log(mol/L)) -1,3
Polarna površina[6] (PSA, Å2) 87,1

Reference уреди

  1. ^ Tinkelman DG, Berkowitz RB: A pilot study of pemirolast in patients with seasonal allergic rhinitis. Ann Allergy. 1991 Feb;66(2):162-5. PMID 1994787
  2. ^ 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. PMC 3013709 . PMID 21059682. doi:10.1093/nar/gkq1126.  уреди
  3. ^ 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. PMC 2238889 . PMID 18048412. doi:10.1093/nar/gkm958.  уреди
  4. ^ 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. 
  5. ^ 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. PMID 11749573. doi:10.1021/ci000392t.  уреди
  6. ^ 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. PMID 11020286. doi:10.1021/jm000942e.  уреди

Literatura уреди

Spoljašnje veze уреди