KCC2 blocker 1

• CAT Number: I015579
• CAS Number: 1228439-36-8
• Molecular Formula: C22H25NO5S
• Molecular Weight: 415.50
• Purity: ≥95%
• Synonyms: benzyl 1-acetyl-2-[(4-methylsulfonylphenyl)methyl]pyrrolidine-2-carboxylate
• InChI: InChI=1S/C22H25NO5S/c1-17(24)23-14-6-13-22(23,21(25)28-16-19-7-4-3-5-8-19)15-18-9-11-20(12-10-18)29(2,26)27/h3-5,7-12H,6,13-16H2,1-2H3
• InChIKey: XFXZWVGQXNFWDE-UHFFFAOYSA-N
• SMILES: CC(=O)N1CCCC1(CC2=CC=C(C=C2)S(=O)(=O)C)C(=O)OCC3=CC=CC=C3

KCC2 blocker 1 is an orally active and selective K+-Cl- cotransporter KCC2 blocker with an IC50 of 1 μM. KCC2 blocker 1 is a benzyl prolinate[1].
KCC2 blocker 1 (compound 13; 100 μM) inhibits NKCC1 with 35%.
KCC2 blocker 1 (compound 13; 1 mg/kg iv and 6 mg/kg po) has a t1/2 of 0.3 hours, a CL of 26 mL/min/kg, a C max of 457 ng/mL and a AUC of 726 ng•h/mL for male Wistar rats[1].

Reference

[1]. Pégurier C, et al. Benzyl prolinate derivatives as novel selective KCC2 blockers. Bioorg Med Chem Lett. 2010 Apr 15;20(8):2542-5.
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