(R,R)-CXCR2-IN-2

• CAT Number: I045534
• CAS Number: 1838123-22-0
• Molecular Formula: C18H23ClN2O5S
• Molecular Weight: 414.90
• Purity: ≥95%
• Synonyms: 1-[4-chloro-2-hydroxy-3-[(3R)-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-FZKQIMNGSA-N
• SMILES: CC1=CCCC1NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)C3(CCOC3)C)O

(R,R)-CXCR2-IN-2, diastereoisomer of CXCR2-IN-2 (compound 68), is a brain penetrant CXCR2 antagonist with a pIC50 of 9 and 6.8 in the Tango assay and d in the HWB Gro-α induced CD11b expression assay, respectively[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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