CXCR2-IN-2

• CAT Number: I014812
• CAS Number: 1838123-21-9
• Molecular Formula: C18H23ClN2O5S
• Molecular Weight: 414.90
• Purity: ≥95%
• Synonyms: 1-[4-chloro-2-hydroxy-3-[(3S)-3-methyloxolan-3-yl]sulfonylphenyl]-3-[(1R)-2-methylcyclopent-2-en-1-yl]urea
• InChI: InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
• InChIKey: DNXKACKCTLURQN-ACJLOTCBSA-N
• SMILES: CC1=CCCC1NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)C3(CCOC3)C)O

CXCR2-IN-2 is a selective, brain penetrant, and orally bioavailable CXCR2 antagonist (IC50=5.2 nM/1 nM in β-arrestin assay/CXCR2 Tango assay, respectively). CXCR2-IN-2 displays ~730-fold selectivity over CXCR1 and >1900-fold selectivity over all other chemokine receptors. CXCR2-IN-2 inhibits human whole blood Gro-α induced CD11b expression with an IC50 of 0.04 μM[1].
CXCR2-IN-2 (compound 68) (1-10 mg/kg; p.o.; twice daily for 3 days) dose-dependently reduces neutrophil infiltration in vivo in rat and mouse air pouch models[1].

Reference

[1]. Lu H, et al. Discovery of Novel 1-Cyclopentenyl-3-phenylureas as Selective, Brain Penetrant, and Orally Bioavailable CXCR2 Antagonists. J Med Chem. 2018;61(6):2518-2532.
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