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GAK inhibitor 2

CAT: 0931-T61703-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T61703-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2396706-31-1
Target
Others, Anti-infection, Antibiotic
Related Pathways
Others, Microbiology/Virology
Bioactivity
GAK inhibitor 2 (Compound 14g) is a highly potent inhibitor of cyclin G-associated kinase (GAK) with an IC50 of 0.024 μM and exhibits remarkable antiviral activity against dengue virus (DENV) with an EC50 of 1.049 μM [1].
Smiles
C[C@@H]1CN(C2=C3C(=NS2)C=CC(=N3)C4=CC(OC)=C(OC)C=C4)C[C@H](C)O1
Molecular Formula
C20H23N3O3S
Molecular Weight
385.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

GAK inhibitor 2
CAS Number2396706-31-1
PubChem CID156016676
IUPAC Name(2R,6S)-4-[5-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-2,6-dimethylmorpholine
Molecular FormulaC20H23N3O3S
Molecular Weight385.5
XLogP3.9
Topological Polar Surface Area85
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity489
SMILES
C[C@@H]1CN(C[C@@H](O1)C)C2=C3C(=NS2)C=CC(=N3)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C20H23N3O3S/c1-12-10-23(11-13(2)26-12)20-19-16(22-27-20)7-6-15(21-19)14-5-8-17(24-3)18(9-14)25-4/h5-9,12-13H,10-11H2,1-4H3/t12-,13+
InChIKey
BVEGTKGHXUUTRR-BETUJISGSA-N
Chemical Structure
2D Structure
2D structure of GAK inhibitor 2
CAS: 2396706-31-1
CID: 156016676
Formula: C20H23N3O3S
MW: 385.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.5
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass385.14601278
Monoisotopic Mass385.14601278
Topological Polar Surface Area85 Ų
Heavy Atom Count27
Formal Charge0
Complexity489
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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