3-Metoksitiramin

3-Metoksitiramin
Identifikacija
CAS broj	554-52-9 ;
3D model (Jmol)	interaktivna slika;
ChemSpider	1606 ;
ECHA InfoCard	100.122.789
PubChem C ID	1669;
	SMILES COc1cc(CCN)ccc1O; ; ; ; ; ;
Svojstva
Hemijska formula	C9H13NO2
Molarna masa	167,205
	Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje materijala (na 25 °C [77 °F], 100 kPa).
	Reference infokutije

3-Metoksitiramin je organsko jedinjenje, koje sadrži 9 atoma ugljenika i ima molekulsku masu od 167,205 Da.

Sinteza

Biosintetički putevi za kateholamine i trag amine u ljudskom mozgu^[3]^[4]^[5]

3-Metoksitiramin

primarni
put

manje
zastupljeni
put

Kod ljudi, kateholamini i fenetilaminergički trag amini su izvedeni iz aminokiseline L-fenilalanin.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	2
Broj rotacionih veza	3
Particioni koeficijent^[6] (ALogP)	1,0
Rastvorljivost^[7] (logS, log(mol/L))	-1,6
Polarna površina^[8] (PSA, Å²)	55,5

Reference

^ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today. 15 (23-24): 1052—7. PMID 20970519. doi:10.1016/j.drudis.2010.10.003. уреди
^ Evan E. Bolton; Yanli Wang; Paul A. Thiessen; Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry. 4: 217—241. doi:10.1016/S1574-1400(08)00012-1.
^ Broadley KJ (2010). „The vascular effects of trace amines and amphetamines”. Pharmacol. Ther. 125 (3): 363—375. PMID 19948186. doi:10.1016/j.pharmthera.2009.11.005.
^ Lindemann L, Hoener MC (2005). „A renaissance in trace amines inspired by a novel GPCR family”. Trends Pharmacol. Sci. 26 (5): 274—281. PMID 15860375. doi:10.1016/j.tips.2005.03.007.
^ Wang X, Li J, Dong G, Yue J (2014). „The endogenous substrates of brain CYP2D”. Eur. J. Pharmacol. 724: 211—218. PMID 24374199. doi:10.1016/j.ejphar.2013.12.025.
^ 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.
^ 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.
^ 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.

Literatura

Clayden, Jonathan; Greeves, Nick; Warren, Stuart; Wothers, Peter (2001). Organic Chemistry (I изд.). Oxford University Press. ISBN 978-0-19-850346-0.
Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th изд.). New York: Wiley-Interscience. ISBN 0-471-72091-7.
Katritzky A.R.; Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry (Second изд.). Academic Press. ISBN 0080429882.

Spoljašnje veze

3-Methoxytyramine

[1] Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today. 15 (23-24): 1052—7. PMID 20970519. doi:10.1016/j.drudis.2010.10.003. уреди

[2] Evan E. Bolton; Yanli Wang; Paul A. Thiessen; Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry. 4: 217—241. doi:10.1016/S1574-1400(08)00012-1.

[Trace_amine_template_1-3] Broadley KJ (2010). „The vascular effects of trace amines and amphetamines”. Pharmacol. Ther. 125 (3): 363—375. PMID 19948186. doi:10.1016/j.pharmthera.2009.11.005.

[Trace_amine_template_2-4] Lindemann L, Hoener MC (2005). „A renaissance in trace amines inspired by a novel GPCR family”. Trends Pharmacol. Sci. 26 (5): 274—281. PMID 15860375. doi:10.1016/j.tips.2005.03.007.

[CYP2D6_tyramine-dopamine_metabolism-5] Wang X, Li J, Dong G, Yue J (2014). „The endogenous substrates of brain CYP2D”. Eur. J. Pharmacol. 724: 211—218. PMID 24374199. doi:10.1016/j.ejphar.2013.12.025.

[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.

[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.

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