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TNKS-2-IN-2

CAT: 0804-HY-156332-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-156332-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TNKS-2-IN-2 is a potent and selective inhibitor of TNKS2 with an IC50 of 22 nM[1].
CAS Number
2719726-91-5
UNSPSC
12352005
Target
PARP
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/tnks-2-in-2.html
Purity
99.47
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
COC1=C(C(OC)=CC(C(NC2=CC=C(C=C2)NC(C3=CNC4=CC=CC=C4C3=O)=O)=O)=C1)OC
Molecular Formula
C26H23N3O6
Molecular Weight
473.48
References & Citations
[1]Zhang X, et al. Design, synthesis, and biological activity evaluation of new tankyrase-2 directed inhibitors. Chem Biol Drug Des. 2023 Oct 10.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Tnks-2-IN-2
CAS Number2719726-91-5
PubChem CID162351771
IUPAC Name4-oxo-N-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-1H-quinoline-3-carboxamide
Molecular FormulaC26H23N3O6
Molecular Weight473.5
XLogP3.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity795
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CNC4=CC=CC=C4C3=O
InChI
InChI=1S/C26H23N3O6/c1-33-21-12-15(13-22(34-2)24(21)35-3)25(31)28-16-8-10-17(11-9-16)29-26(32)19-14-27-20-7-5-4-6-18(20)23(19)30/h4-14H,1-3H3,(H,27,30)(H,28,31)(H,29,32)
InChIKey
QTUNARPUEKECCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tnks-2-IN-2
CAS: 2719726-91-5
CID: 162351771
Formula: C26H23N3O6
MW: 473.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.5
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass473.15868546
Monoisotopic Mass473.15868546
Topological Polar Surface Area115 Ų
Heavy Atom Count35
Formal Charge0
Complexity795
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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