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GRK6-IN-1

CAT: 0804-HY-142812-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-142812-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GRK6-IN-1 (Compound 18) is the inhibitor for G protein-coupled receptorkinase 6 (GRK6) with an IC50 of 3.8-8 nM. GRK6-IN-1 also inhibits GRK7, GRK5, GRK4 and GRK1 with IC50s of 6.4, 12, 22 and 52 nM, respectively. GRK6-IN-1 has the potential for the research of multiple myeloma[1].
CAS Number
2677786-61-5
UNSPSC
12352005
Hazard Statement
H315, H319, H320
Target
Aurora Kinase; G Protein-coupled Receptor Kinase (GRK) ; IGF-1R
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics; GPCR/G Protein; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/grk6-in-1.html
Concentration
10mM
Purity
99.61
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
COC1=CC=CC2=NC(NCC3=CC=C(Cl)C=C3OC)=NC(NC4=NNC(CC)=C4)=C12
Molecular Formula
C22H23ClN6O2
Molecular Weight
438.91
Precautions
H315, H319, H320
References & Citations
[1]Uehling DE, et al. Design, Synthesis, and Characterization of 4-Aminoquinazolines as Potent Inhibitors of the G Protein-Coupled Receptor Kinase 6 (GRK6) for the Treatment of Multiple Myeloma [published correction appears in J Med Chem. 2022 Jan 13;65 (1) :886-887]. J Med Chem. 2021;64 (15) :11129-11147.|[2]George K, et al., Robust GRK2/3/6-dependent desensitization of oxytocin receptor in neurons. iScience. 2024 May 22;27 (6) :110047.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Aurora A

Chemical Information

Grk6-IN-1
CAS Number2677786-61-5
PubChem CID163196291
IUPAC Name2-N-[(4-chloro-2-methoxyphenyl)methyl]-4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxyquinazoline-2,4-diamine
Molecular FormulaC22H23ClN6O2
Molecular Weight438.9
XLogP5.3
Topological Polar Surface Area97
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity560
SMILES
CCC1=CC(=NN1)NC2=NC(=NC3=C2C(=CC=C3)OC)NCC4=C(C=C(C=C4)Cl)OC
InChI
InChI=1S/C22H23ClN6O2/c1-4-15-11-19(29-28-15)26-21-20-16(6-5-7-17(20)30-2)25-22(27-21)24-12-13-8-9-14(23)10-18(13)31-3/h5-11H,4,12H2,1-3H3,(H3,24,25,26,27,28,29)
InChIKey
ACLLLJSNOCYQOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Grk6-IN-1
CAS: 2677786-61-5
CID: 163196291
Formula: C22H23ClN6O2
MW: 438.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.9
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass438.1571017
Monoisotopic Mass438.1571017
Topological Polar Surface Area97 Ų
Heavy Atom Count31
Formal Charge0
Complexity560
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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