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MNK inhibitor 9

CAT: 1410-M12960-01Size: 1 EachDry Ice: NoHazardous: No
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Description
MNK inhibitor 9 is a potent, selective MAPK-interacting kinase (MNK1 and MNK2) inhibitor with IC50 of 3 nM for both, with no activity aginst CDK1/2 (IC50>25 uM) .
CAS Number
1889336-59-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
471.569
Molecular Formula
C25H29N9O
Notes
Research use only, not for human use.
Receptor
MNK

Chemical Information

MNK inhibitor 9
CAS Number1889336-59-7
PubChem CID127047444
IUPAC Name2-[5-amino-6-[1-methyl-7-[(3S)-3-methylpiperazin-1-yl]benzimidazol-2-yl]pyrazin-2-yl]-N,N-dimethylpyridine-4-carboxamide
Molecular FormulaC25H29N9O
Molecular Weight471.6
XLogP0.6
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity738
SMILES
C[C@H]1CN(CCN1)C2=CC=CC3=C2N(C(=N3)C4=NC(=CN=C4N)C5=NC=CC(=C5)C(=O)N(C)C)C
InChI
InChI=1S/C25H29N9O/c1-15-14-34(11-10-27-15)20-7-5-6-17-22(20)33(4)24(31-17)21-23(26)29-13-19(30-21)18-12-16(8-9-28-18)25(35)32(2)3/h5-9,12-13,15,27H,10-11,14H2,1-4H3,(H2,26,29)/t15-/m0/s1
InChIKey
FBTRDJIPJVBTHV-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of MNK inhibitor 9
CAS: 1889336-59-7
CID: 127047444
Formula: C25H29N9O
MW: 471.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.6
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass471.24950658
Monoisotopic Mass471.24950658
Topological Polar Surface Area118 Ų
Heavy Atom Count35
Formal Charge0
Complexity738
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

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