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TNKS-2-IN-3

CAT: 0013-GTR19263940-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263940-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TNKS-2-IN-3 (Compound 5) is a selective and competitive inhibitor of Tankyrase 2 (TNKS2), with an IC50 value of 0.3 nM. It exhibits over 20-fold selectivity for TNKS2 compared to TNKS1 and more than 100-fold selectivity over PARP1/2. By inhibiting TNKS2-mediated ADP ribosylation, TNKS-2-IN-3 stabilizes axin and suppresses the Wnt/β-catenin pathway, demonstrating antiproliferative activity in colorectal cancer cells. TNKS-2-IN-3 holds potential for research in solid tumors with aberrant Wnt pathway activation, such as colorectal cancer.
CAS Number
2580941-64-4
Field of Research
Epigenetics & Chromatin, Molecular Biology, Signal Transduction
Smiles
O=C1N=C (SCCN2CCN (CCSC3=NC (=O) C=4C=CC=CC4N3) CC2) NC=5C=CC=CC15
Molecular Formula
C24H26N6O2S2
Molecular Weight
494.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bis-quinazolinone 5
CAS Number2580941-64-4
PubChem CID145996538
IUPAC Name2-[2-[4-[2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]ethyl]piperazin-1-yl]ethylsulfanyl]-3H-quinazolin-4-one
Molecular FormulaC24H26N6O2S2
Molecular Weight494.6
XLogP2.9
Topological Polar Surface Area140
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity747
SMILES
C1CN(CCN1CCSC2=NC3=CC=CC=C3C(=O)N2)CCSC4=NC5=CC=CC=C5C(=O)N4
InChI
InChI=1S/C24H26N6O2S2/c31-21-17-5-1-3-7-19(17)25-23(27-21)33-15-13-29-9-11-30(12-10-29)14-16-34-24-26-20-8-4-2-6-18(20)22(32)28-24/h1-8H,9-16H2,(H,25,27,31)(H,26,28,32)
InChIKey
RHCZTJJJLXGIDT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis-quinazolinone 5
CAS: 2580941-64-4
CID: 145996538
Formula: C24H26N6O2S2
MW: 494.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.6
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass494.15586644
Monoisotopic Mass494.15586644
Topological Polar Surface Area140 Ų
Heavy Atom Count34
Formal Charge0
Complexity747
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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