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GNE 220 hydrochloride

CAT: 0931-T63095-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63095-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2448286-21-1
Target
Others, MAPK
Related Pathways
Others, MAPK
Bioactivity
GNE 220 (hydrochloride) is a potent and selective MAP4K4 inhibitor with an IC50 of 7 nM.
Smiles
Cl.CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]c3c(C)nc(nc3c2c1)-c1cnn(C)c1
Molecular Formula
C25H27ClN8
Molecular Weight
474.99
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

GNE 220 Hydrochloride
CAS Number2448286-21-1
PubChem CID134828260
IUPAC Name6-methyl-12-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrazol-4-yl)-3,5,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;hydrochloride
Molecular FormulaC25H27ClN8
Molecular Weight475.0
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity661
SMILES
CC1=C2C(=NC(=N1)C3=CN(N=C3)C)C4=C(N2)N=CC(=C4)C5=CC=C(C=C5)N6CCN(CC6)C.Cl
InChI
InChI=1S/C25H26N8.ClH/c1-16-22-23(30-24(28-16)19-14-27-32(3)15-19)21-12-18(13-26-25(21)29-22)17-4-6-20(7-5-17)33-10-8-31(2)9-11-33;/h4-7,12-15H,8-11H2,1-3H3,(H,26,29);1H
InChIKey
VBVBAEHNBOTZQV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GNE 220 Hydrochloride
CAS: 2448286-21-1
CID: 134828260
Formula: C25H27ClN8
MW: 475.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass474.2047206
Monoisotopic Mass474.2047206
Topological Polar Surface Area78.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity661
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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