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MNK1/2-IN-6

CAT: 0804-HY-146735Size: 1 EachDry Ice: NoHazardous: No
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Description
MNK1/2-IN-6 is a potent and selective MNK1/2 inhibitor with IC50s of 2.3 nM and 3.4 nM for MNK1 and MNK2, respectively. MNK1/2-IN-6 induces apoptosis in a concentration-dependent manner[1].
CAS Number
2771087-94-4
UNSPSC
12352005
Target
Apoptosis; MNK
Type
Reference compound
Related Pathways
Apoptosis; MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mnk1-2-in-6.html
Solubility
10 mM in DMSO
Smiles
N[C@H]1CCCN(C1)C(C2=CC=C(C=C2)C3=NN4C(C5=CC=C6C=NC=CC6=C5)=CN=C4C=C3)=O
Molecular Formula
C27H24N6O
Molecular Weight
448.52
References & Citations
[1]Bu H, et al. Design, synthesis and biological evaluation of imidazopyridazine derivatives containing isoquinoline group as potent MNK1/2 inhibitors. Bioorg Med Chem. 2021; 40:116186.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MNK1; MNK2

Chemical Information

Mnk1/2-IN-6
CAS Number2771087-94-4
PubChem CID163322385
IUPAC Name[(3S)-3-aminopiperidin-1-yl]-[4-(3-isoquinolin-6-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanone
Molecular FormulaC27H24N6O
Molecular Weight448.5
XLogP2.9
Topological Polar Surface Area89.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity711
SMILES
C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)C3=NN4C(=NC=C4C5=CC6=C(C=C5)C=NC=C6)C=C3)N
InChI
InChI=1S/C27H24N6O/c28-23-2-1-13-32(17-23)27(34)19-5-3-18(4-6-19)24-9-10-26-30-16-25(33(26)31-24)21-7-8-22-15-29-12-11-20(22)14-21/h3-12,14-16,23H,1-2,13,17,28H2/t23-/m0/s1
InChIKey
RKNGTCDEHZFRSK-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of Mnk1/2-IN-6
CAS: 2771087-94-4
CID: 163322385
Formula: C27H24N6O
MW: 448.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.5
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass448.20115941
Monoisotopic Mass448.20115941
Topological Polar Surface Area89.4 Ų
Heavy Atom Count34
Formal Charge0
Complexity711
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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