Atomoxetina HCl - ≥98% , Norepinephrine transporter inhibitor, CAS No.82248-59-7, Norepinephrine transporter inhibitor

CAS: 82248-59-7 Cat. No.: A129721 Peso molecular: 291.82 Número EC: 629-925-3

GRADE & PURITY ≥98%

Synonyms

HCl, Atomoxetine | (R)-N-Methyl-?-(2-methylphenoxy)-benzenepropanamine hydrochloride | (r)-n-methyl-gamma-(2-methylphenoxy)-benzenepropanamine hydrochloride | AKOS015920150 | Atomoxetine hydrochloride | Atomoxetine hydrochloride [USAN] | BM164222 | s3175

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

La atomoxetina es un inhibidor selectivo del transportador de norepinefrina (NE) con una Ki de 5 nM, con una afinidad 15 y 290 veces menor por los transportadores humanos de 5-HT y DA.
Es un inhibidor selectivo de SLC6A2.

Specifications

Sinónimos

HCl, Atomoxetine | (R)-N-Methyl-?-(2-methylphenoxy)-benzenepropanamine hydrochloride | (r)-n-methyl-gamma-(2-methylphenoxy)-benzenepropanamine hydrochloride | AKOS015920150 | Atomoxetine hydrochloride | Atomoxetine hydrochloride [USAN] | BM164222 | s3175

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

El clorhidrato de tomoxetina (Atomoxetina, LY 139603) es un inhibidor competitivo y específico de SLC6A2, al tiempo que muestra una débil inhibición de ST y DAT, según se ha estudiado en sinaptosomas de hipotálamo de rata. Además, los estudios indican que

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Tipo de acción

INHIBITOR

Mecanismo de acción

Norepinephrine transporter inhibitor

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. Sin embargo, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. Toxicidad, consulte la SDS para más información. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.Cl
• IUPAC Name: (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;hydrochloride
• InChIKey: LUCXVPAZUDVVBT-UNTBIKODSA-N
• INCHI: 1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-;/m1./s1
• Isómeros SMILES: CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2.Cl
• WGK Alemania: 1
• CAS alternativo: 83015-26-3
• Peso molecular: 291.82
• Reaxy-Rn: 6691924
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6691924&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Toluenes Aralkylamines Alkyl aryl ethers Dialkylamines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Aralkylamine - Monocyclic benzene moiety - Secondary aliphatic amine - Ether - Secondary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• External Descriptors: hydrochloride

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)

SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

Discover Target: SLC6A2

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

HepG2 (196354 Activities)

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

ENGASE Tchem Endo-beta-N-acetylglucosaminidase (63 Activities)

Discover Target: ENGASE

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

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

Discover Target: ABCC4

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

IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

Discover Target: IDH1

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

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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

Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Rattus norvegicus (775804 Activities)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO 58 mg/mL Water 2 mg/mL Ethanol 37 mg/mL
• Sensibilidad: Moisture & Heat sensitive
• Rotación específica [α]: -42° (C=1,MeOH)
• Punto de fusión (°C): 167.0 - 171.0 °C
• Peso molecular: 291.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 291.139 Da
• Monoisotopic Mass: 291.139 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 237.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Referencias

1. Jieqing Feng, Qisheng Zhong, Ting Zhou.  (2022)  Online Pressure Change Focusing-Supercritical Fluid Selective Extraction Chromatography for Analyzing Chiral Drugs in Microliter-Scale Plasma Samples.  ANALYTICAL CHEMISTRY,      [PMID:36356211] [10.1021/acs.analchem.2c03892]

2. Yutong You, Xu Wang, Kaiqi Ma, Jiaru Li, Ying Peng, Jiang Zheng.  (2021)  Metabolic Activation of Atomoxetine Mediated by Cytochrome P450 2D6.  CHEMICAL RESEARCH IN TOXICOLOGY,      [PMID:34431675] [10.1021/acs.chemrestox.1c00216]