WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 522708
CAS#: 817194-38-0
Description: GSK180736A is potent and selective inhibitor of GRK2 with an IC50 of 0.77 μM25 and >100-fold selectivity over other GRKs. It is a weak inhibitor of PKA with an IC50 of 30 μM, but highly potent against ROCK1 (IC50 = 100 nM).
MedKoo Cat#: 522708
Name: GSK180736A
CAS#: 817194-38-0
Chemical Formula: C19H16FN5O2
Exact Mass: 365.1288
Molecular Weight: 365.3684
Elemental Analysis: C, 62.46; H, 4.41; F, 5.20; N, 19.17; O, 8.76
Synonym: GSK180736A; GSK-180736A; GSK 180736A.
IUPAC/Chemical Name: 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
InChi Key: HEAIGWIZTYAQTC-UHFFFAOYSA-N
InChi Code: InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)
SMILES Code: CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)NN=C4
1: Waldschmidt HV, Homan KT, Cruz-Rodriguez O, Cato MC, Waninger-Saroni J,
Larimore KM, Cannavo A, Song J, Cheung JY, Kirchhoff PD, Koch WJ, Tesmer JJ,
Larsen SD. Structure-Based Design, Synthesis and Biological Evaluation of Highly
Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors. J Med Chem.
2016 Apr 6. [Epub ahead of print] PubMed PMID: 27050625.
2: Homan KT, Waldschmidt HV, Glukhova A, Cannavo A, Song J, Cheung JY, Koch WJ,
Larsen SD, Tesmer JJ. Crystal Structure of G Protein-coupled Receptor Kinase 5 in
Complex with a Rationally Designed Inhibitor. J Biol Chem. 2015 Aug
21;290(34):20649-59. doi: 10.1074/jbc.M115.647370. Epub 2015 Jun 1. PubMed PMID:
26032411; PubMed Central PMCID: PMC4543626.
3: Homan KT, Larimore KM, Elkins JM, Szklarz M, Knapp S, Tesmer JJ.
Identification and structure-function analysis of subfamily selective G
protein-coupled receptor kinase inhibitors. ACS Chem Biol. 2015 Jan
16;10(1):310-9. doi: 10.1021/cb5006323. Epub 2014 Oct 3. PubMed PMID: 25238254;
PubMed Central PMCID: PMC4301037.