CXCR4 antagonist 22 - Moligand™ , Antagonist of CXCR4, CAS No.C609672, Antagonist of CXCR4

CAS: C609672 Cat. No.: C609672 PubChem CID: 137321154

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Antagonist of CXCR4

Nombres e identificadores

• Sonrisas canónicas: Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1
• IUPAC Name: 1-([1,1′-biphenyl]-3-yl)-N-((1-(2-chlorobenzyl)piperidin-4-yl)methyl)methanamine
• InChIKey: XBEBHNXBLIDZDS-UHFFFAOYSA-N
• INCHI: 1S/C26H29ClN2/c27-26-12-5-4-10-25(26)20-29-15-13-21(14-16-29)18-28-19-22-7-6-11-24(17-22)23-8-2-1-3-9-23/h1-12,17,21,28H,13-16,18-20H2
• Isómeros SMILES: C1CN(CCC1CNCC2=CC(=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4Cl
• PubChem CID: 137321154

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Phenylmethylamines Benzylamines Chlorobenzenes Aralkylamines Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Phenylmethylamine - Benzylamine - Aralkylamine - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• 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 (humanos)

CXCR4 Tclin C-X-C chemokine receptor type 4 (1 Activities)

Discover Target: CXCR4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)