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Bosutinib

С Википедије, слободне енциклопедије

Bosutinib
Klinički podaci


Drugs.com	Monografija
Način primene	Oralno
Farmakokinetički podaci
Poluvreme eliminacije	22,5 h
Izlučivanje	Fekakalno 91.3%

Identifikatori
CAS broj	380843-75-4^Да
ATC kod	L01XE14 (WHO)
PubChem	CID5328940
DrugBank	DB06616^Да
ChemSpider	4486102^Да
ChEBI	CHEBI:39112^Да
ChEMBL	CHEMBL288441^Да
Hemijski podaci
Formula	C₂₆H₂₉Cl₂N₅O₃
Molarna masa	530,446
SMILES COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl
InChI InChI=1/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)^Да Key:UBPYILGKFZZVDX-UHFFFAOYNA-N^Да

Bosutinib jeorgansko jedinjenje, koje sadrži 26atoma ugljenika i imamolekulsku masu od 530,446Da.^[1]^[2]^[3]^[4]

Osobine

[уреди |уреди извор]

Osobina	Vrednost
Broj akceptora vodonika	8
Broj donora vodonika	1
Broj rotacionih veza	9
Particioni koeficijent^[5] (ALogP)	4,9
Rastvorljivost^[6] (logS, log(mol/L))	-6,9
Polarna površina^[7] (PSA,Å²)	82,9

Reference

[уреди |уреди извор]

^von Amsberg, Gunhild Keller; Schafhausen (2013).„Bosutinib in the management of chronic myelogenous leukemia”.Biologics: Targets and Therapy.7: 115—122.PMC 3652479 .PMID 23674887.doi:10.2147/BTT.S30182 .
^Keller-v.Amsberg, Gunhild; Brümmendorf, Tim H. (2012 Sep). „Novel aspects of therapy with the dual SRC and Abl kinase inhibitor bosutinib in chronic myeloid leukemia”.Expert Rev Anticancer Ther.12 (9): 1121—7.PMID 23098112.doi:10.1586/era.12.84. Проверите вредност парамет(а)ра за датум:|date= (помоћ)
^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.