N-(6-Methyl-2-benzothiazolyl)-2-[(3,4,6,7-tetrahydro-4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)thio]-acetamide

Base Information

• Chemical Name: N-(6-Methyl-2-benzothiazolyl)-2-[(3,4,6,7-tetrahydro-4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)thio]-acetamide
• CAS No.: 686770-61-6
• Molecular Formula: C22H18N4O2S3
• Molecular Weight: 466.609
• NSC Number: 753606
• DSSTox Substance ID: DTXSID50366724
• Nikkaji Number: J3.628.165K
• Wikidata: Q27216260
• Pharos Ligand ID: TNX35FPW37SJ
• ChEMBL ID: CHEMBL1257064
• Mol file: 686770-61-6.mol

Synonyms:inhibitor of WNT production-2 compound;IWP-2 compound;IWP2 compound;N-(6-methyl-1,3-benzothiazol-2-yl)-2-((4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno(3,2-d)pyrimidin-2-yl)sulfanyl)acetamide;Wnt inhibitor IWP-2

Chemical Property of N-(6-Methyl-2-benzothiazolyl)-2-[(3,4,6,7-tetrahydro-4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)thio]-acetamide

Chemical Property:

• Melting Point: 257 °C(dec.)
• PKA: 9.01±0.70(Predicted)
• PSA: 156.11000
• Density: 1.52±0.1 g/cm3(Predicted)
• LogP: 5.67000
• Storage Temp.: Store at +4°C
• Solubility.: DMSO: >5mg/mL
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 466.05918935
• Heavy Atom Count: 31
• Complexity: 796

Purity/Quality:

98%,99%, ^*data from raw suppliers

IWP 2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4
• Description: IWP-2 is an inhibitor of Wnt processing and secretion with IC50 of 27 nM in a cell-free assay, selective blockage of Porcn-mediated Wnt palmitoylation, does not affect Wnt/β-catenin in general and displays no effect against Wnt-stimulated cellular responses. IWP-2 (686770-61-6) is an inhibitor of Wnt secretion and processing. It blocks Wnt-dependent signaling (IC50= 27 nM) by inhibition of the O-acyltransferase Porcn.1 Induces cardiomyocyte differentiation from human pluripotent stem cells.2 IWP-2 is an important tool to probe the involvement of the Wnt pathway in physiological processes.3,4?Cell permeable.
• Uses: IWP-2 is an inactivator of Porcn function; inhibitor of Wnt production. IWP-2 is useful in the treatment diseases and conditions such as cancer, degenerative diseases, type II diabetes and osteopetrosis. IWP-2 has been used to treat the cell lines L-Wnt-3a and L-Wnt-5a, to demonstrate the inhibitory effect of IWP-2. It has also been used as a Wnt signaling inhibitor to treat WT and?Gja1Jrt/+ stromal cells to confirm that, theWnt/β-catenin signaling pathway pathway was not involved in the increased marker expression by?Gja1Jrt/+ osteoblasts.