For research use only. Not for therapeutic Use.
GRL018-21 is a potent, highly selective and non-covalent GRK5 inhibitor with an IC50 value of 10 nM. KEYWORDS: GRL018-21 | Supplier | GRK5 inhibitor | GRL 018-21 | GRL-018-21 | CAS [3061801-07-5] | Non Selective (Phosphorylation substrates) | GRK | Inhibitor | Enzymes | Chronic heart failure | G protein-coupled receptor kinase 5
| Catalog Number | I047731 |
| CAS Number | 3061801-07-5 |
| Molecular Formula | C30H25FN4O5 |
| Purity | ≥95% |
| IUPAC Name | (11Z)-7-chloro-17-hydroxy-2-phenyl-9-oxa-1,14,21-triazatetracyclo[12.7.1.03,8.016,21]docosa-3(8),4,6,11,16,19-hexaene-15,18-dione;(11Z)-6,7-difluoro-17-hydroxy-2-phenyl-9-oxa-1,14,21-triazatetracyclo[12.7.1.03,8.016,21]docosa-3(8),4,6,11,16,19-hexaene-15,18-dione;(11Z)-7-fluoro-2-(6-fluoropyridin-2-yl)-17-hydroxy-1,14,21-triazatetracyclo[12.7.1.03,8.016,21]docosa-3(8),4,6,11,16,19-hexaene-15,18-dione |
| InChI | InChI=1S/2C24H20ClN3O4.C24H20F2N4O3.2C24H19F2N3O4/c2*25-18-10-6-9-17-20(16-7-2-1-3-8-16)28-15-26(12-4-5-14-32-23(17)18)24(31)21-22(30)19(29)11-13-27(21)28;25-17-8-4-7-16-15(17)6-2-1-3-12-28-14-30(21(16)18-9-5-10-20(26)27-18)29-13-11-19(31)23(32)22(29)24(28)33;2*25-17-9-8-16-20(15-6-2-1-3-7-15)29-14-27(11-4-5-13-33-23(16)19(17)26)24(32)21-22(31)18(30)10-12-28(21)29/h2*1-11,13,20,30H,12,14-15H2;1,3-5,7-11,13,21,32H,2,6,12,14H2;2*1-10,12,20,31H,11,13-14H2/b2*5-4-;3-1-;2*5-4- |
| SMILES | C1/C=C\CN2C(=O)C3=C(C(=O)C=CN3N(C2)C(C4=C(C1)C(=CC=C4)F)C5=NC(=CC=C5)F)O.C/1N2C(=O)C3=C(C(=O)C=CN3N(C2)C(C4=C(OC/C=C1)C(=CC=C4)Cl)C5=CC=CC=C5)O.C/1N2C(=O)C3=C(C(=O)C=CN3N(C2)C(C4=C(OC/C=C1)C(=CC=C4)Cl)C5=CC=CC=C5)O.C/1N2C(=O)C3=C(C(=O)C=CN3N(C2)C(C4=C(OC/C=C1)C(=C(C=C4)F)F)C5=CC=CC=C5)O.C/1N2C(=O)C3=C(C(=O)C=CN3N(C2)C(C4=C(OC/C=C1)C(=C(C=C4)F)F)C5=CC=CC=C5)O |
| Reference | Y Chen et al. Development of a new class of potent and highly selective G protein-coupled receptor kinase 5 inhibitors and structural insight from crystal structures of inhibitor complexes. Eur J Med Chem. 2024 Jan 15;0(0):115931. |
