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GSK2163632A

CAT: 0804-HY-118046Size: 1 EachDry Ice: NoHazardous: No
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Description
GSK2163632A is a selective G protein-coupled receptor kinase (GRK) inhibitor that can be used as a probe for studying heart failure and Parkinson's disease. GSK2163632A potently inhibits GRK1 and GRK5, and also inhibits Rho-associated coiled-coil kinase (ROCK) and insulin-like growth factor receptor IGF-1R. GSK2163632A binds to GRK2 in a manner similar to Paroxetine.
CAS Number
1123163-20-1
UNSPSC
12352005
Target
G Protein-coupled Receptor Kinase (GRK) ; IGF-1R; ROCK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton; GPCR/G Protein; Protein Tyrosine Kinase/RTK; Stem Cell/Wnt; TGF-beta/Smad
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/gsk2163632a.html
Smiles
O=C(N)C1=C(C=CS1)NC2=C3C(NC=C3)=NC(NC4=CC5=C(C(C)(CCN5C(CN(C)C)=O)C)C=C4OC)=N2
Molecular Formula
C27H32N8O3S
Molecular Weight
548.66
References & Citations
[1]Identification and Structure−Function Analysis of Subfamily Selective G Protein-Coupled Receptor Kinase Inhibitors
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
GRK2

Chemical Information

3-[(2-{[1-(N,N-Dimethylglycyl)-6-Methoxy-4,4-Dimethyl-1,2,3,4-Tetrahydroquinolin-7-Yl]amino}-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)amino]thiophene-2-Carboxamide
CAS Number1123163-20-1
PubChem CID25210972
IUPAC Name3-[[2-[[1-[2-(dimethylamino)acetyl]-6-methoxy-4,4-dimethyl-2,3-dihydroquinolin-7-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]thiophene-2-carboxamide
Molecular FormulaC27H32N8O3S
Molecular Weight548.7
XLogP4.5
Topological Polar Surface Area170
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity893
SMILES
CC1(CCN(C2=CC(=C(C=C21)OC)NC3=NC4=C(C=CN4)C(=N3)NC5=C(SC=C5)C(=O)N)C(=O)CN(C)C)C
InChI
InChI=1S/C27H32N8O3S/c1-27(2)8-10-35(21(36)14-34(3)4)19-13-18(20(38-5)12-16(19)27)31-26-32-24-15(6-9-29-24)25(33-26)30-17-7-11-39-22(17)23(28)37/h6-7,9,11-13H,8,10,14H2,1-5H3,(H2,28,37)(H3,29,30,31,32,33)
InChIKey
YNSCKPCDFIDINW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[(2-{[1-(N,N-Dimethylglycyl)-6-Methoxy-4,4-Dimethyl-1,2,3,4-Tetrahydroquinolin-7-Yl]amino}-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)amino]thiophene-2-Carboxamide
CAS: 1123163-20-1
CID: 25210972
Formula: C27H32N8O3S
MW: 548.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.7
XLogP34.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass548.23180809
Monoisotopic Mass548.23180809
Topological Polar Surface Area170 Ų
Heavy Atom Count39
Formal Charge0
Complexity893
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T24106-01GSK2163632A

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