CXCR4 antagonist 3

CXCR4 antagonist 3 (compound 12a) is a potent antagonist of CXCR4 with an IC50 of 11 nM. CXCR4 antagonist 3 is a congener of TIQ15. CXCR4 antagonist 3 demonstrates the best overall properties including CXCR4 antagonism, CYP 2D6 inhibition, metabolic stability, and permeability. CXCR4 antagonist 3 has the potential for the research of human immunodeficiency virus[1].

Product Specifications

CAS Number

[2761009-43-0]

UNSPSC

12352005

Target

CXCR

Type

Reference compound

Related Pathways

GPCR/G Protein; Immunology/Inflammation

Applications

COVID-19-anti-virus

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/cxcr4-antagonist-3.html

Solubility

10 mM in DMSO

Smiles

NCCCCN([C@@H]1C2=NC=CC=C2CCC1)C[C@@H]3NCC4=C(C3)N=CC=C4

Molecular Formula

C22H31N5

Molecular Weight

365.52

References & Citations

[1]Jecs E, et al. Synthesis and Evaluation of Novel Tetrahydronaphthyridine CXCR4 Antagonists with Improved Drug-like Profiles. J Med Chem. 2022;65 (5) :4058-4084.