Encenicline (EVP-6124) hydrochloride - ≥98% , CAS No.550999-74-1

CAS: 550999-74-1 Cat. No.: E412827 Molecular Weight: 357.3 PubChem CID: 46208542

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

Overview

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

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

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504770680
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770680
• Canonical Smiles: 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
• Isomeric SMILES: C1CN2CCC1[C@H](C2)NC(=O)C3=CC4=C(S3)C(=CC=C4)Cl.Cl
• Alternate CAS: 550999-75-2
• PubChem CID: 46208542
• Molecular Weight: 357.3

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 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

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