MedKoo Cat#: 406349 Name: WIKI4 CAS#: 838818-26-1 Chemical Formula: C29H23N5O3S Exact Mass: 521.15216 Molecular Weight: 521.59 Elemental Analysis: C, 66.78; H, 4.44; N, 13.43; O, 9.20; S, 6.15

Synonym: WIKI4; WIKI 4; WIKI-4

IUPAC/Chemical Name: 2-(3-((4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

InChi Key: RNUXIZKXJOGYQP-UHFFFAOYSA-N

InChi Code: 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

SMILES Code: O=C(NC1=CC=CC=C1C(NC2=CC=C(CCN3CC4=C(C=C(OC)C(OC)=C4)CC3)C=C2)=O)C5=CC=C(OC)C(OC)=C5

Technical Data

Appearance: White to off-white solid

Purity: >98% (or refer to the Certificate of Analysis)

Certificate of Analysis: View CoA: current batch, Lot#B7B09C21

QC Data: View QC data: current batch, Lot#B7B09C21

Safety Data Sheet (MSDS): View Material Safety Data Sheet (MSDS)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs

Storage Condition: 0 – 4 C for short term (weeks to 1 month) or -20 C for long terms (months to years).

Solubility: soluble in DMSO, not soluble in water.

Shelf Life: >2 years if stored properly.

Drug Formulation: This drug may be formulated in DMSO.

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

Harmonized System Code: 293490

Additional Information

References

1: Haikarainen T, Venkannagari H, Narwal M, Obaji E, Lee HW, Nkizinkiko Y, Lehtiö L. Structural basis and selectivity of tankyrase inhibition by a Wnt signaling inhibitor WIKI4. PLoS One. 2013 Jun 6;8(6):e65404. doi: 10.1371/journal.pone.0065404. Print 2013. PubMed PMID: 23762361; PubMed Central PMCID: PMC3675114.