Anabaseine , CAS No.3471-05-4

CAS: 3471-05-4 Cat. No.: A276289 Peso molecular: 160.22

Synonyms

2,3'-BIPYRIDINE, 3,4,5,6-TETRAHYDRO- | FT-0662139 | HY-115766 | Q19903288 | J-019727 | BDBM109773 | US8609708, 74 Anabaseine | AN4 | AKOS000277414 | 3-(3,4,5,6-tetrahydropyridin-2-yl)pyridine | DYE103K23I | UNII-DYE103K23I | 3-(2,3,4,5-tetrahydropyridin-6

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

Almacenar a +4°C. El producto puede almacenarse hasta 12 meses.

Specifications

Sinónimos

2, 3'-BIPYRIDINE, 3, 4, 5, 6-TETRAHYDRO- | FT-0662139 | HY-115766 | Q19903288 | J-019727 | BDBM109773 | US8609708, 74 Anabaseine | AN4 | AKOS000277414 | 3-(3, 4, 5, 6-tetrahydropyridin-2-yl)pyridine | DYE103K23I | UNII-DYE103K23I | 3-(2, 3, 4, 5-tetrahydropyridin-6

Mecanismos bioquímicos y fisiológicos

Neurotoxina. Potente agonista competitivo del receptor α7 nACh. Agonista parcial débil de α4β2. Precursor dihidrocloruro de GTS-21. ( R, S )-Análogo de la anabasina. Muestra efectos neurotóxicos in vivo.

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Tipo de acción

AGONIST

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.

Nombres e identificadores

• Sonrisas canónicas: C1CCN=C(C1)C2=CN=CC=C2
• IUPAC Name: 3-(2,3,4,5-tetrahydropyridin-6-yl)pyridine
• InChIKey: AUBPMADJYNSPOA-UHFFFAOYSA-N
• INCHI: 1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8H,1-2,5,7H2
• Isómeros SMILES: C1CCN=C(C1)C2=CN=CC=C2
• Peso molecular: 160.22
• Reaxy-Rn: 125981
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125981&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydropyridines
• Alternative Parents: Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Tetrahydropyridine - Heteroaromatic compound - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Imine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetrahydropyridines. These are derivatives of pyridine in which two double bonds in the pyridine moiety are reduced by adding four hydrogen atoms.
• External Descriptors: bipyridines

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)

CHRNA7 Tchem Neuronal acetylcholine receptor protein alpha-7 subunit (3524 Activities)

Discover Target: CHRNA7

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

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

CHRNB2 Tclin Neuronal acetylcholine receptor; alpha4/beta2 (3972 Activities)

Discover Target: CHRNB2

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

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Acinetobacter baumannii (41033 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 160.220 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.1 Da
• Monoisotopic Mass: 160.1 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 175.000
• 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: 1