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GAK inhibitor 49

CAT: 0957-S0848-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S0848-25mgSize:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
319492-82-5
Target
Serine/threonin kinase
Applications
Cell Cycle
Smiles
COC1=CC (=CC (=C1OC) OC) NC2=C3C=C (C (=CC3=NC=C2) OC) OC
Molecular Formula
C20H22N2O5
Additionnal Information
GAK inhibitor 49 is a potent, ATP-competitive and highly selective cyclin G associated kinase (GAK) inhibitor with an IC50 of 56 nM.
Storage Conditions
3 years -20°C powder

Chemical Information

6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
CAS Number319492-82-5
PubChem CID5330475
IUPAC Name6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
Molecular FormulaC20H22N2O5
Molecular Weight370.4
XLogP3.6
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity440
SMILES
COC1=CC(=CC(=C1OC)OC)NC2=C3C=C(C(=CC3=NC=C2)OC)OC
InChI
InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)
InChIKey
VYPGLYMWNDRFGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
CAS: 319492-82-5
CID: 5330475
Formula: C20H22N2O5
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass370.15287181
Monoisotopic Mass370.15287181
Topological Polar Surface Area71.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity440
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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