3-Methoxytyramine hydrochloride(3-MT) - ≥98% , CAS No.1477-68-5

CAS: 1477-68-5 Cat. No.: M419970 Peso molecular: 203.67 Beilstein Registry Number: 3631283 Número EC: 216-035-1

GRADE & PURITY ≥98%

Synonyms

3-MT | 3-MT | 5-(2-Aminoethyl)guaiacol HCl | MFCD00012902 | SY062385 | 13,14-dihydro Prostaglandin F2 alpha | DTXSID801017284 | PD021165 | NSC 172190 | AWRIOTVUTPLWLF-UHFFFAOYSA-N | MLS002153361 | 3-Methoxytyramine (hydrochloride) | DTXSID40163784 | UNII-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product description：

3-Methoxytyramine hydrochloride is an inactive metabolite of dopamine which can activate trace amine associated receptor 1 (TAAR1).

Specifications

Sinónimos

3-MT | 3-MT | 5-(2-Aminoethyl)guaiacol HCl | MFCD00012902 | SY062385 | 13, 14-dihydro Prostaglandin F2 alpha | DTXSID801017284 | PD021165 | NSC 172190 | AWRIOTVUTPLWLF-UHFFFAOYSA-N | MLS002153361 | 3-Methoxytyramine (hydrochloride) | DTXSID40163784 | UNII-

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

The main metabolite of dopamine; Catechol O-methyltransferase product.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=CC(=C1)CCN)O.Cl
• IUPAC Name: 4-(2-aminoethyl)-2-methoxyphenol;hydrochloride
• InChIKey: AWRIOTVUTPLWLF-UHFFFAOYSA-N
• INCHI: 1S/C9H13NO2.ClH/c1-12-9-6-7(4-5-10)2-3-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H
• Isómeros SMILES: COC1=C(C=CC(=C1)CCN)O.Cl
• WGK Alemania: 3
• Peso molecular: 203.67
• Beilstein: 3631283
• Reaxy-Rn: 3631283
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3631283&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenethylamines Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Quaternary ammonium salts Organic zwitterions Organic chloride salts Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenethylamine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Quaternary ammonium salt - Ether - Primary amine - Organic zwitterion - Amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organic chloride salt - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

GLA Tclin Alpha-galactosidase A (5444 Activities)

Discover Target: GLA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Taar1 Trace amine-associated receptor 1 (899 Activities)

Discover Target: Taar1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: ≥10.3 mg/mL in EtOH; ≥44.7 mg/mL in H2O; ≥49.4 mg/mL in DMSO
• Sensibilidad: Moisture sensitive；Light sensitive
• Peso molecular: 203.660 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 203.071 Da
• Monoisotopic Mass: 203.071 Da
• Topological Polar Surface Area: 55.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 130.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3