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WIKI4

CAT: 0804-HY-16910-07Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16910-07Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
WIKI4 is a potent tankyrase inhibitor with an IC50 of 26 nM for TNKS2. WIKI4 potently inhibits Wnt/β-catenin signaling and that its half-maximal response dose is 75 nM. WIKI4 mediates its effects on Wnt/β-catenin signaling by inhibiting the enzymatic activity of TNKS2[1][2]. WIKI4 is cytotoxic to SCLC cells with an IC50 value of 0.02 μM[3].
CAS Number
838818-26-1
UNSPSC
12352005
Hazard Statement
H302, H410
Target
PARP; Wnt; β-catenin
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics; Stem Cell/Wnt
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/WIKI4.html
Purity
99.93
Solubility
DMSO : 6.8 mg/mL (ultrasonic; warming)
Smiles
O=C1N(CCCSC2=NN=C(C3=CC=NC=C3)N2C4=CC=C(OC)C=C4)C(C5=CC=CC6=CC=CC1=C56)=O
Molecular Formula
C29H23N5O3S
Molecular Weight
521.59
Precautions
H302, H410
References & Citations
[1]James RG, et al. WIKI4, a novel inhibitor of tankyrase and Wnt/ß-catenin signaling. PLoS One. 2012;7 (12) :e50457.|[2]Haikarainen T, et al. Structural basis and selectivity of tankyrase inhibition by a Wnt signaling inhibitor WIKI4. PLoS One. 2013 Jun 6;8 (6) :e65404.|[3]Sadava D, et al. The effect of brassinolide, a plant steroid hormone, on drug resistant small-cell lung carcinoma cells. Biochem Biophys Res Commun. 2017 Nov 4;493 (1) :783-787.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
TNKS2/PARP5B

Chemical Information

2-[3-[[4-(4-Methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione
CAS Number838818-26-1
PubChem CID2984337
IUPAC Name2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione
Molecular FormulaC29H23N5O3S
Molecular Weight521.6
XLogP4.8
Topological Polar Surface Area116
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity803
SMILES
COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6
InChI
InChI=1S/C29H23N5O3S/c1-37-22-11-9-21(10-12-22)34-26(20-13-15-30-16-14-20)31-32-29(34)38-18-4-17-33-27(35)23-7-2-5-19-6-3-8-24(25(19)23)28(33)36/h2-3,5-16H,4,17-18H2,1H3
InChIKey
RNUXIZKXJOGYQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[3-[[4-(4-Methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione
CAS: 838818-26-1
CID: 2984337
Formula: C29H23N5O3S
MW: 521.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.6
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass521.15216079
Monoisotopic Mass521.15216079
Topological Polar Surface Area116 Ų
Heavy Atom Count38
Formal Charge0
Complexity803
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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