Ursodiol

Ursodiol
Klinički podaci
Prodajno imeActigall, Antigall, Arsacol, Cholit-ursan
Drugs.comMonografija
Način primeneOralno
Identifikatori
CAS broj128-13-2 ДаY
ATC kodA05AA02 (WHO)
PubChemCID 31401
DrugBankDB01586 ДаY
ChemSpider29131 ДаY
KEGGC07880 ДаY
ChEBICHEBI:9907 ДаY
ChEMBLCHEMBL1551 ДаY
Hemijski podaci
FormulaC24H40O4
Molarna masa392,572
  • [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
  • InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1 ДаY
  • Key:RUDATBOHQWOJDD-UZVSRGJWSA-N ДаY
Fizički podaci
Tačka topljenja203 °C (397 °F)

Ursodiol je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 392,572 Da.[1][2][3][4][5]

Osobine

Osobina Vrednost
Broj akceptora vodonika 4
Broj donora vodonika 3
Broj rotacionih veza 4
Particioni koeficijent[6] (ALogP) 4,0
Rastvorljivost[7] (logS, log(mol/L)) -5,7
Polarna površina[8] (PSA, Å2) 77,8

Reference

  1. ^ Akare S, Jean-Louis S, Chen W, Wood DJ, Powell AA, Martinez JD: Ursodeoxycholic acid modulates histone acetylation and induces differentiation and senescence. Int J Cancer. 2006 Dec 15;119(12):2958-69. PMID 17019713
  2. ^ Smith T, Befeler AS: High-dose ursodeoxycholic acid for the treatment of primary sclerosing cholangitis. Curr Gastroenterol Rep. 2007 Mar;9(1):54-9. PMID 17335678
  3. ^ Jackson H, Solaymani-Dodaran M, Card TR, Aithal GP, Logan R, West J: Influence of ursodeoxycholic acid on the mortality and malignancy associated with primary biliary cirrhosis: A population-based cohort study. Hepatology. 2007 Aug 8;46(4):1131-1137. PMID 17685473
  4. ^ 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 Слободан приступ. PMID 21059682. doi:10.1093/nar/gkq1126.  уреди
  5. ^ 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 Слободан приступ. PMID 18048412. doi:10.1093/nar/gkm958.  уреди
  6. ^ 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. 
  7. ^ 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
  8. ^ 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

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