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TINK-IN-1

CAT: 0804-HY-156502-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-156502-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TINK-IN-1 (Compound 9) is a potent and selective Traf2- and Nck-interacting kinase (TNIK) inhibitor with an IC50 of 8 nM. TINK-IN-1 inhibits colorectal cancer cells viability[1].
CAS Number
1417795-25-5
UNSPSC
12352005
Target
MAP4K
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/tink-in-1.html
Purity
98.02
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
N#CC1=CC(C2=CC(NC3=CC=C(N4CCOCC4)C(OC)=C3)=NC=C2)=C(OC)C=C1
Molecular Formula
C24H24N4O3
Molecular Weight
416.47
References & Citations
[1]Ho KK, et al. Discovery of 4-phenyl-2-phenylaminopyridine based TNIK inhibitors. Bioorg Med Chem Lett. 2013 Jan 15;23 (2) :569-73.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-Methoxy-3-[2-[(3-Methoxy-4-Morpholin-4-Yl-Phenyl)amino]pyridin-4-Yl]benzenecarbonitrile
CAS Number1417795-25-5
PubChem CID71540729
IUPAC Name4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile
Molecular FormulaC24H24N4O3
Molecular Weight416.5
XLogP3.8
Topological Polar Surface Area79.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity605
SMILES
COC1=C(C=C(C=C1)C#N)C2=CC(=NC=C2)NC3=CC(=C(C=C3)N4CCOCC4)OC
InChI
InChI=1S/C24H24N4O3/c1-29-22-6-3-17(16-25)13-20(22)18-7-8-26-24(14-18)27-19-4-5-21(23(15-19)30-2)28-9-11-31-12-10-28/h3-8,13-15H,9-12H2,1-2H3,(H,26,27)
InChIKey
JKDVQSBZXOTCNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxy-3-[2-[(3-Methoxy-4-Morpholin-4-Yl-Phenyl)amino]pyridin-4-Yl]benzenecarbonitrile
CAS: 1417795-25-5
CID: 71540729
Formula: C24H24N4O3
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass416.18484064
Monoisotopic Mass416.18484064
Topological Polar Surface Area79.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity605
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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