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TNIK-IN-6

CAT: 0804-HY-156817-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-156817-01Size:1 mg
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Description
TNIK-IN-6 (Compound 9) is an inhibitor of Traf2 and Nck-interacting kinase (TNIK) and , with IC50 of 0.93 μM, that plays important roles in neurological and psychiatric disorders[1][2].
CAS Number
2375196-40-8
UNSPSC
12352005
Target
TNF Receptor
Type
Reference compound
Related Pathways
Apoptosis
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/tnik-in-6.html
Purity
96.92
Solubility
10 mM in DMSO
Smiles
FC1=NC=CC(C2=NC3=C(N)N=CC(Br)=C3C=C2)=C1
Molecular Formula
C13H8BrFN4
Molecular Weight
319.13
References & Citations
[1]Koc-Kan Ho, et al. Discovery of 4-phenyl-2-phenylaminopyridine based TNIK inhibitors. Bioorg Med Chem Lett. 2013 Jan 15;23 (2) :569-73.|[2]Jon Read, et al. Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase. Bioorg Med Chem Lett. 2019 Aug 1;29 (15) :1962-1967.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Tnik-IN-6
CAS Number2375196-40-8
PubChem CID146027031
IUPAC Name5-bromo-2-(2-fluoro-4-pyridinyl)-1,7-naphthyridin-8-amine
Molecular FormulaC13H8BrFN4
Molecular Weight319.13
XLogP2.5
Topological Polar Surface Area64.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity319
SMILES
C1=CC(=NC2=C1C(=CN=C2N)Br)C3=CC(=NC=C3)F
InChI
InChI=1S/C13H8BrFN4/c14-9-6-18-13(16)12-8(9)1-2-10(19-12)7-3-4-17-11(15)5-7/h1-6H,(H2,16,18)
InChIKey
KARJFNUGCLEZKM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tnik-IN-6
CAS: 2375196-40-8
CID: 146027031
Formula: C13H8BrFN4
MW: 319.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.13
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass317.99164
Monoisotopic Mass317.99164
Topological Polar Surface Area64.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity319
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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