Oksamnikvin

Oksamnikvin
Klinički podaci
Prodajno ime	Mansil, Vansil
Drugs.com	Monografija
Farmakokinetički podaci
Poluvreme eliminacije	1-2,5 h
Identifikatori
CAS broj	21738-42-1
ATC kod	P02BA02 (WHO)
PubChem	CID 4612
DrugBank	DB01096
ChemSpider	4451
KEGG	C07341
ChEMBL	CHEMBL847
Hemijski podaci
Formula	C14H21N3O3
Molarna masa	279,335
	SMILES CC(C)NCC1CCC2=CC(CO)=C(C=C2N1)[N+]([O-])=O; ;
	InChI InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3 ; Key:XCGYUJZMCCFSRP-UHFFFAOYSA-N ;
Fizički podaci
Tačka topljenja	147—149 °C (297—300 °F)

Oksamnikvin je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 279,335 Da.^[1]^[2]^[3]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	3
Broj rotacionih veza	5
Particioni koeficijent^[4] (ALogP)	1,8
Rastvorljivost^[5] (logS, log(mol/L))	-3,3
Polarna površina^[6] (PSA, Å²)	90,1

Stereohemija

Oksamnikin sadrži stereocentar i sastoji se od dva enantiomera. On je racemat, tj. 1: 1 smeša (R) i (S) - oblika:

Enantiomeri oksamikina
(R)-oblik	(S)-oblik

Reference

^ Filho, R. P.; De Souza Menezes, C. M.; Pinto, P. L.; Paula, G. A.; Brandt, C. A.; Da Silveira, M. A. (фебруар 2007). „Design, synthesis, and in vivo evaluation of oxamniquine methacrylate and acrylamide prodrugs”. Bioorganic & Medicinal Chemistry. 15 (3): 1229—36. PMID 17134907. doi:10.1016/j.bmc.2006.11.027.
^ 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—41. PMC 3013709 . PMID 21059682. doi:10.1093/nar/gkq1126.
^ Wishart, D. S.; Knox, C.; Guo, A. C.; Cheng, D.; Shrivastava, S.; Tzur, D.; Gautam, B.; Hassanali, M. (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.
^ 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, I. V.; Tanchuk, V. Y.; Kasheva, T. N.; Villa, A. E. (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, 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”. Journal of Medicinal Chemistry. 43 (20): 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

Literatura

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.

Spoljašnje veze

Oxamniquine

Molimo Vas, obratite pažnju na važno upozorenje
u vezi sa temama iz oblasti medicine (zdravlja).

[1] Filho, R. P.; De Souza Menezes, C. M.; Pinto, P. L.; Paula, G. A.; Brandt, C. A.; Da Silveira, M. A. (фебруар 2007). „Design, synthesis, and in vivo evaluation of oxamniquine methacrylate and acrylamide prodrugs”. Bioorganic & Medicinal Chemistry. 15 (3): 1229—36. PMID 17134907. doi:10.1016/j.bmc.2006.11.027.

[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, A. C.; Wishart, D. S. (2011). „DrugBank 3.0: A comprehensive resource for 'omics' research on drugs”. Nucleic Acids Research. 39 (Database issue): D1035—41. PMC 3013709 . PMID 21059682. doi:10.1093/nar/gkq1126.

[3] Wishart, D. S.; Knox, C.; Guo, A. C.; Cheng, D.; Shrivastava, S.; Tzur, D.; Gautam, B.; Hassanali, M. (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.

[4] 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.

[5] Tetko, I. V.; Tanchuk, V. Y.; Kasheva, T. N.; Villa, A. E. (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.

[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”. Journal of Medicinal Chemistry. 43 (20): 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

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