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CXCR4 antagonist 22 , CAS No.C609672, Antagonist of CXCR4

COA

Grade & Purity:

Moligand™

PubChem CID: 137321154

In stock

Item Number

C609672

Grouped product items
SKU	Size	Availability	Price	Qty
C609672-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$600.90
C609672-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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CXCR4 Antagonist (16)

Basic Description

Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of CXCR4

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Benzylpiperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
Description	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
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(Human)

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)

Names and Identifiers

IUPAC Name	1-([1,1′-biphenyl]-3-yl)-N-((1-(2-chlorobenzyl)piperidin-4-yl)methyl)methanamine
INCHI	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
InChIKey	XBEBHNXBLIDZDS-UHFFFAOYSA-N
Smiles	Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1
Isomeric SMILES	C1CN(CCC1CNCC2=CC(=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4Cl
PubChem CID	137321154

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