CXCR2-IN-2 is a selective, blood-brain barrier penetrating, locally bioavailable CXCR2 antagonist (IC50 is 5.2nM/1nM in β-arrestin and CXCR2 Tango assays, respectively). CXCR2-IN-2 is approximately 730-fold more sensitive than CXCR1 and greater than 1900-fold more sensitive than all other chemokine receptors. CXCR2-IN-2 inhibits Gro-α-induced CD11b expression in human whole blood with an IC50 value of 0.04 μM.

Physicochemical Properties

Molecular Formula	C18H23CLN2O5S
Molecular Weight	414.903622865677
Exact Mass	414.101
CAS #	1838123-21-9
Related CAS #	(R,R)-CXCR2-IN-2;1838123-22-0
Appearance	White to off-white solid powder
LogP	2.2
SMILES	ClC1=CC=C(C(=C1S([C@]1(C)COCC1)(=O)=O)O)NC(N[C@H]1C(C)=CCC1)=O
InChi Key	DNXKACKCTLURQN-ACJLOTCBSA-N
InChi Code	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
Chemical Name	1-[4-chloro-2-hydroxy-3-[(3S)-3-methyloxolan-3-yl]sulfonylphenyl]-3-[(1R)-2-methylcyclopent-2-en-1-yl]urea
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vivo	CXCR2-IN-2 (Compound 68) (1-10 mg/kg; orally; twice daily for 3 days) dose-dependently inhibits in vivo neutrophil infiltration in rat and mouse air sac models [1] .
Animal Protocol	Animal/Disease Models: 6-8 weeks old male C57Bl/6 mice (mouse air sac model) [1] Doses: 1, 3 and 10 mg/kg Route of Administration: Oral; twice (two times) daily for 3 days Experimental Results: Significant Inhibition of neutrophil infiltration into mouse air sacs. Animal/Disease Models: 8-10 week old male Wistar rat (rat air sac model) [1] Doses: 1, 3 and 10 mg/kg Route of Administration: po (po (oral gavage)) twice (two times) daily for 3 days Experimental Results: Inhibition of neutrophils Cell migration toward rat air sacs.
References	[1]. Discovery of Novel 1-Cyclopentenyl-3-phenylureas as Selective, Brain Penetrant, and Orally Bioavailable CXCR2 Antagonists. J Med Chem. 2018;61(6):2518-2532.

Solubility Data

Solubility (In Vitro)

DMSO : ~240 mg/mL (~578.45 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 6 mg/mL (14.46 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 60.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.4102 mL	12.0511 mL	24.1022 mL
	5 mM	0.4820 mL	2.4102 mL	4.8204 mL
	10 mM	0.2410 mL	1.2051 mL	2.4102 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.