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GNF4877

CAT: 1410-M23913-01Size: 1 EachDry Ice: NoHazardous: No
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Description
GNF4877 is a potent DYRK1A and GSK3β inhibitor (IC50s: 6 nM and 16 nM) .
CAS Number
2041073-22-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
494.52
Molecular Formula
C25H27FN6O4
Notes
Research use only, not for human use.
Receptor
GSK3β|DYRK1A

Chemical Information

(R)-1-(3-(3-Amino-6-(2-fluoro-5-isopropoxyphenyl)pyrazine-2-carboxamido)pyridin-4-yl)piperidine-3-carboxylic acid
CAS Number2041073-22-5
PubChem CID139600315
IUPAC Name(3R)-1-[3-[[3-amino-6-(2-fluoro-5-propan-2-yloxyphenyl)pyrazine-2-carbonyl]amino]-4-pyridinyl]piperidine-3-carboxylic acid
Molecular FormulaC25H27FN6O4
Molecular Weight494.5
XLogP2.8
Topological Polar Surface Area144
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity760
SMILES
CC(C)OC1=CC(=C(C=C1)F)C2=CN=C(C(=N2)C(=O)NC3=C(C=CN=C3)N4CCC[C@H](C4)C(=O)O)N
InChI
InChI=1S/C25H27FN6O4/c1-14(2)36-16-5-6-18(26)17(10-16)19-12-29-23(27)22(30-19)24(33)31-20-11-28-8-7-21(20)32-9-3-4-15(13-32)25(34)35/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H2,27,29)(H,31,33)(H,34,35)/t15-/m1/s1
InChIKey
UZIATSFXNVOVFE-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of (R)-1-(3-(3-Amino-6-(2-fluoro-5-isopropoxyphenyl)pyrazine-2-carboxamido)pyridin-4-yl)piperidine-3-carboxylic acid
CAS: 2041073-22-5
CID: 139600315
Formula: C25H27FN6O4
MW: 494.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight494.5
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass494.20778153
Monoisotopic Mass494.20778153
Topological Polar Surface Area144 Ų
Heavy Atom Count36
Formal Charge0
Complexity760
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes