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575546

Tankyrase1/2 Inhibitor III

Name: Tankyrase1/2 Inhibitor III
Brand: MM

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

Assay:

≥99% (HPLC)

Form:

solid

Storage condition:

OK to freeze, protect from light

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Properties

Quality Segment

100

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

SMILES string

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

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

InChI key

LQZSHPITKSPDLC-UHFFFAOYSA-N

Description

General description

A cell-permeable triazolylthiomethyl-oxadiazole compound that binds TNKS1/PARP5a and TNKS2/PARP5b with high affinity (K_d = 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.

Biochem/physiol Actions

Primary Target
TNKS1/PARP5a and TNKS2/PARP5b

Reversible: yes

Cell permeable: yes

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.

Other Notes

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

Legal Information

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

Disclaimer

Toxicity: Standard Handling (A)

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c