CCG258208 hydrochloride

• CAT Number: I046129
• Molecular Formula: C24H26ClFN4O4
• Molecular Weight: 488.94
• Purity: ≥95%
• Synonyms: 5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide;hydrochloride
• InChI: InChI=1S/C24H25FN4O4.ClH/c25-21-3-1-15(9-20(21)24(30)27-12-17-5-8-28-29-17)19-6-7-26-11-16(19)13-31-18-2-4-22-23(10-18)33-14-32-22;/h1-5,8-10,16,19,26H,6-7,11-14H2,(H,27,30)(H,28,29);1H/t16-,19-;/m0./s1
• InChIKey: VKDHYIQOOJPZOE-QSVLQNJRSA-N
• SMILES: C1CNCC(C1C2=CC(=C(C=C2)F)C(=O)NCC3=CC=NN3)COC4=CC5=C(C=C4)OCO5.Cl

CCG258208 (GRK2-IN-1) hydrochloride is a potent and selective GRK2 (G protein-coupled receptor kinase 2) inhibitor (IC50=30 nM) while maintaining 230-fold selectivity over GRK5 (IC50=7.09 μM) and more than 2500-fold selectivity over GRK1 (IC50=87.3 μM), PKA, and ROCK1. CCG258208 hydrochloride can be used in heart failure research[1].
CCG258208 (Compound 14as) (0-1 μM; 10 min) shows significant improvement in βAR-stimulated contractility in mouse cardiomyocytes[1].
CCG258208 (Compound 14as) (intraperitoneal injection; 10 mg/kg; once) treatment shows superior half-life in vivo[1].

Reference

[1]. Waldschmidt HV, et al. Structure-Based Design of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2Inhibitors Based on Paroxetine. J Med Chem. 2017 Apr 13;60(7):3052-3069.
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