| Bioactivity | 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]. |
| In Vivo | CXCR4-IN-3 (compound XVI) (25 mg/kg，灌胃，每天两次，连续 14 天)可缓解 DSS (葡聚糖硫酸钠)诱发的 IBD (炎症性肠病)，并与炎症细胞数量减少和炎症因子分泌减少有关[1]。CXCR4-IN-3 (静脉注射 (2 mg/kg), 灌胃给药 (20 mg/kg)；一次)表现出合理的药代动力学特性[1]。 MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: |
| Formula | C20H25N3O2 |
| Molar Mass | 339.43 |
| Transport | Room temperature in continental US; may vary elsewhere. |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Reference | [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. |