GRADE & PURITY ≥98%

Synonyms

EVP-6124 (hydrochloride) | (R)-7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide hydrochloride. | B2929 | AKOS037643768 | DTXSID40673090 | Q27292104 | encenicline hcl | Encenicline HCl salt | N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-7-chloro-1-benz

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Encenicline (EVP-6124) hydrochloride is a selective agonist of α7 nicotinic acetylcholine receptors (nAChRs). Encenicline (EVP-6124) is in development for treating cognitive impairment in schizophrenia and Alzheimer's disease.

Specifications

Sinónimos

EVP-6124 (hydrochloride) | (R)-7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide hydrochloride. | B2929 | AKOS037643768 | DTXSID40673090 | Q27292104 | encenicline hcl | Encenicline HCl salt | N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-7-chloro-1-benz

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Encenicline (EVP-6124) hydrochloride is a selective agonist of α7 nicotinic acetylcholine receptors (nAChRs). Encenicline (EVP-6124) is in development for treating cognitive impairment in schizophrenia and Alzheimer's disease.

Condiciones de almacenamiento de almacenamiento

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

• Pubchem Sid: 504770680
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770680
• Sonrisas canónicas: C1CN2CCC1C(C2)NC(=O)C3=CC4=C(S3)C(=CC=C4)Cl.Cl
• IUPAC Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloro-1-benzothiophene-2-carboxamide;hydrochloride
• InChIKey: OIJYTJGIDVTCFF-ZOWNYOTGSA-N
• INCHI: 1S/C16H17ClN2OS.ClH/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19;/h1-3,8,10,13H,4-7,9H2,(H,18,20);1H/t13-;/m0./s1
• Isómeros SMILES: C1CN2CCC1[C@H](C2)NC(=O)C3=CC4=C(S3)C(=CC=C4)Cl.Cl
• CAS alternativo: 550999-75-2
• PubChem CID: 46208542
• Peso molecular: 357.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiophenes
      • Subclass 1-benzothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiophenes
• Subclass: 1-benzothiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzothiophenes
• Alternative Parents: Thiophene carboxamides Quinuclidines 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Piperidines Aryl chlorides Benzenoids Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organooxygen compounds Hydrochlorides Organic oxides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzothiophene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Quinuclidine - 2-heteroaryl carboxamide - Piperidine - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiophene - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
• 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 (no humanos)

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

• Sensibilidad: Moisture sensitive
• Peso molecular: 357.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 356.052 Da
• Monoisotopic Mass: 356.052 Da
• Topological Polar Surface Area: 60.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 413.000
• 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