Ezetimib

Ezetimib
Klinički podaci
Prodajno ime	Ezedoc, Ezetib, Ezetrol, Maxetibe
Drugs.com	Monografija
Način primene	Oralno
Farmakokinetički podaci
Poluvreme eliminacije	22 h
Izlučivanje	78% fekalno
Identifikatori
CAS broj	163222-33-1
ATC kod	C10AX09 (WHO)
PubChem	CID 150311
DrugBank	DB00973
ChemSpider	132493
ChEBI	CHEBI:49040
ChEMBL	CHEMBL1138
Hemijski podaci
Formula	C24H21F2NO3
Molarna masa	409,425
	SMILES O[C@@H](CC[C@@H]1[C@H](N(C1=O)C1=CC=C(F)C=C1)C1=CC=C(O)C=C1)C1=CC=C(F)C=C1; ;
	InChI InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1 ; Key:OLNTVTPDXPETLC-XPWALMASSA-N ;
Fizički podaci
Tačka topljenja	163 °C (325 °F)

Ezetimib je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 409,425 Da.^[1]^[2]^[3]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	2
Broj rotacionih veza	6
Particioni koeficijent^[4] (ALogP)	4,6
Rastvorljivost^[5] (logS, log(mol/L))	-6,0
Polarna površina^[6] (PSA, Å²)	60,8

Reference

^ Garcia-Calvo M, Lisnock J, Bull HG, Hawes BE, Burnett DA, Braun MP, Crona JH, Davis HR Jr, Dean DC, Detmers PA, Graziano MP, Hughes M, Macintyre DE, Ogawa A, O'neill KA, Iyer SP, Shevell DE, Smith MM, Tang YS, Makarewicz AM, Ujjainwalla F, Altmann SW, Chapman KT, Thornberry NA: The target of ezetimibe is Niemann-Pick C1-Like 1 (NPC1L1). Proc Natl Acad Sci U S A. Garcia-Calvo, M.; Lisnock, J.; Bull, H. G.; Hawes, B. E.; Burnett, D. A.; Braun, M. P.; Crona, J. H.; Davis Jr, H. R.; Dean, D. C.; Detmers, P. A.; Graziano, M. P.; Hughes, M.; MacIntyre, D. E.; Ogawa, A.; O'Neill, K. A.; Iyer, S. P.; Shevell, D. E.; Smith, M. M.; Tang, Y. S.; Makarewicz, A. M.; Ujjainwalla, F.; Altmann, S. W.; Chapman, K. T.; Thornberry, N. A. (2005 Jun 7). „The target of ezetimibe is Niemann-Pick C1-Like 1 (NPC1L1)”. Proceedings of the National Academy of Sciences of the United States of America. 102 (23): 8132—7. Bibcode:2005PNAS..102.8132G. PMC 1149415 . PMID 15928087. doi:10.1073/pnas.0500269102 . Проверите вредност парамет(а)ра за датум: |date= (помоћ). Epub 2005 May 31.
^ 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, A. C.; Wishart, D. S. (2011). „DrugBank 3.0: A comprehensive resource for 'Omics' research on drugs”. Nucleic Acids Research. 39 (Database issue): D1035—D1041. PMC 3013709 . PMID 21059682. doi:10.1093/nar/gkq1126.
^ Wishart, David S.; Knox, Craig; Guo, An Chi; Cheng, Dean; Shrivastava, Savita; Tzur, Dan; Gautam, Bijaya; Hassanali, Murtaza (2008). „DrugBank: A knowledgebase for drugs, drug actions and drug targets”. Nucleic Acids Research. 36 (Database issue): D901—D906. PMC 2238889 . PMID 18048412. doi:10.1093/nar/gkm958.
^ Ghose, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods”. The Journal of Physical Chemistry A. 102 (21): 3762—3772. Bibcode:1998JPCA..102.3762G. doi:10.1021/jp980230o.
^ Tetko, Igor V.; Tanchuk, Vsevolod Yu.; Kasheva, Tamara N.; Villa, Alessandro E. P. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Journal of Chemical Information and Computer Sciences. 41 (6): 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl, Peter; Rohde, Bernhard; Selzer, Paul (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”. Journal of Medicinal Chemistry. 43 (20): 3714—3717. PMID 11020286. doi:10.1021/jm000942e.