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Merck

575546

Tankyrase1/2 Inhibitor III

The Tankyrase1/2 Inhibitor III controls the biological activity of Tankyrase1/2.

Synonym(s):

Tankyrase1/2 Inhibitor III, 3-(4-Methoxyphenyl)-5-((4-(4-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-ylthio)methyl)-1,2,4-oxadiazole, TNKS1/2 Inhibitor III, Wnt Pathway Inhibitor XIV, TNKS1/2 Inhibitor III, Wnt Pathway Inhibitor XIV, 3-(4-Methoxyphenyl)-5-((4-(4-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-ylthio)methyl)-1,2,4-oxadiazole

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About This Item

Empirical Formula (Hill Notation):
C20H19N5O3S
CAS Number:
865565-29-3
Molecular Weight:
409.46
UNSPSC Code:
12352200
MDL number:
MFCD14811685

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Product Name

Tankyrase1/2 Inhibitor III, The Tankyrase1/2 Inhibitor III controls the biological activity of Tankyrase1/2.

InChI key

LQZSHPITKSPDLC-UHFFFAOYSA-N

InChI

1S/C20H19N5O3S/c1-13-22-23-20(25(13)15-6-10-17(27-3)11-7-15)29-12-18-21-19(24-28-18)14-4-8-16(26-2)9-5-14/h4-11H,12H2,1-3H3

SMILES string

CC1=NN=C(SCC2=NC(C3=CC=C(C=C3)OC)=NO2)N1C(C=C4)=CC=C4OC

assay

≥99% (HPLC)

form

solid

manufacturer/tradename

Calbiochem®

storage condition

OK to freeze
protect from light

color

white

solubility

DMSO: 100 mg/mL

shipped in

ambient

storage temp.

2-8°C

Quality Level

100

Biochem/physiol Actions

Cell permeable: yes
Primary Target
TNKS1/PARP5a and TNKS2/PARP5b
Reversible: yes

Disclaimer

Toxicity: Standard Handling (A)

General description

A cell-permeable triazolylthiomethyl-oxadiazole compound that binds TNKS1/PARP5a and TNKS2/PARP5b with high affinity (Kd = 79 and 28 nM, respectively), and acts as a potent and reversible TNKS1/2 dual inhibitor (IC50 = 33 nM TNKS2 in an auto-PARsylation assay). Shown to interact with the adenosine diphosphate linker portion of the NAD+ donor site, and display excellent selectivity over PARP1 and PARP2 activities (IC50 >19 µM); stabilize Axin2 levels (EC50 = 709 nM in SW480 cells), and antagonize Wnt signaling (IC50 = 215 nM in HEK293-SuperTopFlash assay). Exhibits minimal activity towards cytochrome P450 enzymes (IC50 = 21 and 5.7 µM for CYP2C9 and CYP3A4) and hERG ion channel (IC50 >30 µM), and adequate microsomal stability.

Other Notes

Shultz, M.D., et al. 2012. J. Med. Chem.55, 1127.

Packaging

Packaged under inert gas

Preparation Note

Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 6 months at -20°C. Avoid freeze/thaw cycles of solutions.

Legal Information

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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