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SGC-GAK-1

CAT: 0931-T5169-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T5169-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2226517-76-4
Target
Serine/threonin kinase
Related Pathways
Metabolism, Cell Cycle/Checkpoint
Purity
0.9985
Bioactivity
SGC-GAK-1 is a selective cyclin G-associated kinase (GAK) inhibitor (Ki: 3.1 nM) .
Smiles
COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
Molecular Formula
C18H17BrN2O3
Molecular Weight
389.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sgc-gak-1
CAS Number2226517-76-4
PubChem CID134812846
IUPAC Name6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
Molecular FormulaC18H17BrN2O3
Molecular Weight389.2
XLogP4.3
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity386
SMILES
COC1=CC(=CC(=C1OC)OC)NC2=C3C=C(C=CC3=NC=C2)Br
InChI
InChI=1S/C18H17BrN2O3/c1-22-16-9-12(10-17(23-2)18(16)24-3)21-15-6-7-20-14-5-4-11(19)8-13(14)15/h4-10H,1-3H3,(H,20,21)
InChIKey
AUOSKLDNVNGKRR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sgc-gak-1
CAS: 2226517-76-4
CID: 134812846
Formula: C18H17BrN2O3
MW: 389.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.2
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass388.04225
Monoisotopic Mass388.04225
Topological Polar Surface Area52.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity386
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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