Tesofensina - ≥98% , Monoamine transporter inhibitor, CAS No.195875-84-4, Monoamine transporter inhibitor

CAS: 195875-84-4 Cat. No.: T342495 Peso molecular: 328.28 PubChem CID: 11370864

GRADE & PURITY ≥98%

Synonyms

(1R,2R,3S,5S)-3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane | (1R,2R,3S,5S)-3-(3,4-Dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo(3.2.1)octane | NS2330 | NS-2330 | (1R, 2R, 3S)-2-ethoxymethyl-3-(3,4-dichlorophenyl)trop

Storage

Conservar a 2-8°C,Protegido de la luz

Shipped In

Hielo húmedo

Descripción general

La tesofensina (NS-2330) es un triple inhibidor de la recaptación de monoaminas que induce una potente inhibición del proceso de recaptación en la hendidura sináptica de los neurotransmisores dopamina (DA; IC50=6,5 nM), norepinefrina (NE;IC50=1,7 nM) y serotonina (5-HT;IC50=11 nM), y con potencial como agente antiobesidad. La tesofensina es un agente antiobesidad que actúa en el SNC.

Specifications

Sinónimos

(1R, 2R, 3S, 5S)-3-(3, 4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane | (1R, 2R, 3S, 5S)-3-(3, 4-Dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo(3.2.1)octane | NS2330 | NS-2330 | (1R, 2R, 3S)-2-ethoxymethyl-3-(3, 4-dichlorophenyl)trop

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz

Enviado en

Hielo húmedo

Tipo de acción

INHIBITOR

Mecanismo de acción

Monoamine transporter inhibitor

Pureza

≥98%

Propiedades del producto

• ALogP: 4.5

Nombres e identificadores

• Sonrisas canónicas: CCOCC1C2CCC(N2C)CC1C3=CC(=C(C=C3)Cl)Cl
• IUPAC Name: (1R,2R,3S,5S)-3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane
• InChIKey: VCVWXKKWDOJNIT-ZOMKSWQUSA-N
• INCHI: 1S/C17H23Cl2NO/c1-3-21-10-14-13(9-12-5-7-17(14)20(12)2)11-4-6-15(18)16(19)8-11/h4,6,8,12-14,17H,3,5,7,9-10H2,1-2H3/t12-,13+,14+,17+/m0/s1
• Isómeros SMILES: CCOC[C@H]1[C@H]2CC[C@H](N2C)C[C@@H]1C3=CC(=C(C=C3)Cl)Cl
• PubChem CID: 11370864
• Peso molecular: 328.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Tropane alkaloids
      • Subclass Phenyltropanes

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Tropane alkaloids
• Subclass: Phenyltropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyltropanes
• Alternative Parents: Phenylpiperidines Dichlorobenzenes Aralkylamines N-alkylpyrrolidines Aryl chlorides Trialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenyltropane - Phenylpiperidine - 1,2-dichlorobenzene - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic nitrogen compound - Organopnictogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenyltropanes. These are compounds containing a phenyl group linked to a tropane moiety. Tropane is an organonitrogenous [3.2.1] bicyclic organic compound.
• 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

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive
• Peso molecular: 328.300 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 327.116 Da
• Monoisotopic Mass: 327.116 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 354.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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