4-Metilaminoreks

4-Metilaminoreks
Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	3568-94-3
ATC kod	None
PubChem	CID 92196
DrugBank	DB01447
ChemSpider	83237
Hemijski podaci
Formula	C10H12N2O
Molarna masa	176,215
	SMILES CC1N=C(N)OC1C1=CC=CC=C1; ;
	InChI InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12) ; Key:LJQBMYDFWFGESC-UHFFFAOYSA-N ;

4-Metilaminoreks je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 176,215 Da.^[1]^[2]^[3]^[4]^[5]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	1
Particioni koeficijent^[6] (ALogP)	1,9
Rastvorljivost^[7] (logS, log(mol/L))	-2,2
Polarna površina^[8] (PSA, Å²)	47,6

Reference

^ Bunker, C. F.; Johnson, M.; Gibb, J. W.; Bush, L. G.; Hanson, G. R. (мај 1990). . „Neurochemical effects of an acute treatment with 4-methylaminorex: A new stimulant of abuse”. European Journal of Pharmacology. 180 (1): 103—11. PMID 1973111. doi:10.1016/0014-2999(90)90597-y.
^ Hanson, G. R.; Bunker, C. F.; Johnson, M.; Bush, L.; Gibb, J. W. (1992). . „Response of monoaminergic and neuropeptide systems to 4-methylaminorex: A new stimulant of abuse”. European Journal of Pharmacology. 218 (2–3): 287—293. PMID 1358636. doi:10.1016/0014-2999(92)90181-3.
^ Zheng, Y.; Russell, B.; Schmierer, D.; Laverty, R. (јануар 1997). . „The effects of aminorex and related compounds on brain monoamines and metabolites in CBA mice”. The Journal of Pharmacy and Pharmacology. 49 (1): 89—96. PMID 9120777. doi:10.1111/j.2042-7158.1997.tb06758.x.
^ 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.
^ Nucleic Acids Res (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. |first2= захтева |last2= у Authors list (помоћ); |first3= захтева |last3= у Authors list (помоћ); |first4= захтева |last4= у Authors list (помоћ); |first5= захтева |last5= у Authors list (помоћ); |first6= захтева |last6= у Authors list (помоћ); |first7= захтева |last7= у Authors list (помоћ); |first8= захтева |last8= у Authors list (помоћ)
^ Ghose, A.K., Viswanadhan V.N., and 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 (21): 3762—3772. Bibcode:1998JPCA..102.3762G. doi:10.1021/jp980230o. Архивирано из оригинала 22. 07. 2014. г. Приступљено 13. 12. 2013.
^ 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 (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”. J. Med. Chem.. 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

4-Methylaminorex

[1] Bunker, C. F.; Johnson, M.; Gibb, J. W.; Bush, L. G.; Hanson, G. R. (мај 1990). . „Neurochemical effects of an acute treatment with 4-methylaminorex: A new stimulant of abuse”. European Journal of Pharmacology. 180 (1): 103—11. PMID 1973111. doi:10.1016/0014-2999(90)90597-y.

[2] Hanson, G. R.; Bunker, C. F.; Johnson, M.; Bush, L.; Gibb, J. W. (1992). . „Response of monoaminergic and neuropeptide systems to 4-methylaminorex: A new stimulant of abuse”. European Journal of Pharmacology. 218 (2–3): 287—293. PMID 1358636. doi:10.1016/0014-2999(92)90181-3.

[3] Zheng, Y.; Russell, B.; Schmierer, D.; Laverty, R. (јануар 1997). . „The effects of aminorex and related compounds on brain monoamines and metabolites in CBA mice”. The Journal of Pharmacy and Pharmacology. 49 (1): 89—96. PMID 9120777. doi:10.1111/j.2042-7158.1997.tb06758.x.

[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 . PMID 21059682. doi:10.1093/nar/gkq1126.

[5] Nucleic Acids Res (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. |first2= захтева |last2= у Authors list (помоћ); |first3= захтева |last3= у Authors list (помоћ); |first4= захтева |last4= у Authors list (помоћ); |first5= захтева |last5= у Authors list (помоћ); |first6= захтева |last6= у Authors list (помоћ); |first7= захтева |last7= у Authors list (помоћ); |first8= захтева |last8= у Authors list (помоћ)

[6] Ghose, A.K., Viswanadhan V.N., and 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 (21): 3762—3772. Bibcode:1998JPCA..102.3762G. doi:10.1021/jp980230o. Архивирано из оригинала 22. 07. 2014. г. Приступљено 13. 12. 2013.

[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 (6): 1488—1493. PMID 11749573. doi:10.1021/ci000392t.

[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 (20): 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

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