CXCR4-IN-3

CXCR4-IN-3 (compound XVI) is an orally active and potent inhibitor targeting the inflammation-related receptor CXCR4, with an IC50 of 3.2 nM. CXCR4-IN-3 exhibits potent antichemotactic activity, at 79.19±2.33% inhibition. CXCR4-IN-3 shows anti-inflammatory activity. CXCR4-IN-3 can be used for IBD (inflammatory bowel disease) research[1].

Product Specifications

UNSPSC

12352005

Target

CXCR

Type

Reference compound

Related Pathways

GPCR/G Protein; Immunology/Inflammation

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology

Assay Protocol

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

Concentration

10mM

Purity

99.69

Solubility

1 M HCl : ≥ 100 mg/mL|DMSO : 40 mg/mL (ultrasonic; warming; adjust pH to 3 with 1 M HCL; heat to 60°C)

Smiles

O=C(C1=CC=CO1)N2CCN(C3CCN(C4=CC=CC=C4)CC3)CC2

Molecular Formula

C20H25N3O2

Molecular Weight

339.43

References & Citations

[1]Jiang X, et al. Synthetically Feasible De Novo Molecular Design of Leads Based on a Reinforcement Learning Model: AI-Assisted Discovery of an Anti-IBD Lead Targeting CXCR4. J Med Chem. 2024 Jun 27;67 (12) :10057-10075.