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GNE-495 (Standard)

CAT: 0804-HY-100343RSize: 1 EachDry Ice: NoHazardous: No
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Description
GNE-495 (Standard) is the analytical standard of GNE-495. This product is intended for research and analytical applications. GNE-495 is a potent and selective MAP4K4 inhibitor with an IC50 of 3.7 nM.
CAS Number
1449277-10-4
Target
MAP4K; Reference Standards
Related Pathways
MAPK/ERK Pathway; Others
Field of Research
Cancer
Smiles
O=C(C1=C2C=CC(C3=CC=CC(F)=C3)=NC2=C(N)N=C1)NC4CN(C(C5CC5)=O)C4
Molecular Formula
C22H20FN5O2
Molecular Weight
405.42
References & Citations
[1]Ndubaku CO et al. Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis. ACS Med Chem Lett. 2015 Jun 29;6 (8) :913-8.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

8-Amino-N-[1-(Cyclopropylcarbonyl)azetidin-3-Yl]-2-(3-Fluorophenyl)-1,7-Naphthyridine-5-Carboxamide
CAS Number1449277-10-4
PubChem CID89730041
IUPAC Name8-amino-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide
Molecular FormulaC22H20FN5O2
Molecular Weight405.4
XLogP1.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity668
SMILES
C1CC1C(=O)N2CC(C2)NC(=O)C3=CN=C(C4=C3C=CC(=N4)C5=CC(=CC=C5)F)N
InChI
InChI=1S/C22H20FN5O2/c23-14-3-1-2-13(8-14)18-7-6-16-17(9-25-20(24)19(16)27-18)21(29)26-15-10-28(11-15)22(30)12-4-5-12/h1-3,6-9,12,15H,4-5,10-11H2,(H2,24,25)(H,26,29)
InChIKey
FYXCIBJXJYBWPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Amino-N-[1-(Cyclopropylcarbonyl)azetidin-3-Yl]-2-(3-Fluorophenyl)-1,7-Naphthyridine-5-Carboxamide
CAS: 1449277-10-4
CID: 89730041
Formula: C22H20FN5O2
MW: 405.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.4
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass405.16010306
Monoisotopic Mass405.16010306
Topological Polar Surface Area101 Ų
Heavy Atom Count30
Formal Charge0
Complexity668
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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