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ETC-168

CAT: 0931-T86385-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T86385-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1464150-99-9
Target
MNK
Related Pathways
MAPK
Bioactivity
ETC-168 is a selective, orally active MNK inhibitor with IC50 values of 23 nM for MNK1 and 43 nM for MNK2. It demonstrates antiproliferative efficacy both in vivo and in vitro [1].
Smiles
C(#N)C1=CC=C(C=2N3C(=NC2)C=CC(=N3)C4=CC=C(C(=O)N5CCOCC5)C=C4)C=C1
Molecular Formula
C24H19N5O2
Molecular Weight
409.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(6-(4-(Morpholine-4-carbonyl)phenyl)imidazo[1,2-b]pyridazin-3-yl)benzonitrile
CAS Number1464150-99-9
PubChem CID71744719
IUPAC Name4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
Molecular FormulaC24H19N5O2
Molecular Weight409.4
XLogP2.5
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity671
SMILES
C1COCCN1C(=O)C2=CC=C(C=C2)C3=NN4C(=NC=C4C5=CC=C(C=C5)C#N)C=C3
InChI
InChI=1S/C24H19N5O2/c25-15-17-1-3-19(4-2-17)22-16-26-23-10-9-21(27-29(22)23)18-5-7-20(8-6-18)24(30)28-11-13-31-14-12-28/h1-10,16H,11-14H2
InChIKey
CARBAQLLNJEQRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(6-(4-(Morpholine-4-carbonyl)phenyl)imidazo[1,2-b]pyridazin-3-yl)benzonitrile
CAS: 1464150-99-9
CID: 71744719
Formula: C24H19N5O2
MW: 409.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.4
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass409.15387487
Monoisotopic Mass409.15387487
Topological Polar Surface Area83.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity671
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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