CK1 Inhibitor

Base Information

• Chemical Name: CK1 Inhibitor
• CAS No.: 301836-43-1
• Molecular Formula: C23H18 N4 O3
• Molecular Weight: 398.421
• DSSTox Substance ID: DTXSID60423554
• Nikkaji Number: J2.507.982E
• Wikidata: Q27075737
• Pharos Ligand ID: AU4BJLR4AZR4
• ChEMBL ID: CHEMBL410456
• Mol file: 301836-43-1.mol

Synonyms:4-(4-(2,3-dihydrobenzo(1,4)dioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl)benzamide;D 4476;D-4476;D4476 cpd

Chemical Property of CK1 Inhibitor

Chemical Property:

• Boiling Point: 675.0±55.0 °C(Predicted)
• PKA: 10.16±0.10(Predicted)
• PSA: 103.12000
• Density: 1.338±0.06 g/cm3(Predicted)
• LogP: 4.37610
• Storage Temp.: 2-8°C
• Solubility.: DMSO: ~20mg/mL
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 398.13789045
• Heavy Atom Count: 30
• Complexity: 597

Purity/Quality:

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

4-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl]-benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1COC2=C(O1)C=CC(=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5
• Description: D 4476 is a cell-permeant inhibitor of casein kinase 1 (CK1; IC50 = 200 nM from S. pombe, 300 nM for CK1δ). It is a less effective inhibitor of PKD1 (IC50 = 9.1 μM) and p38α MAPK (IC50 = 5.8 μM), and only weakly affects the activities of a panel of kinases tested. D 4476 blocks CK1-mediated phosphorylation of FOXO1a, RhoB, and p53. As an inhibitor of ALK5, D 4476 prevents Smad3 activation and suppresses TGF-β1-induced gene expression without cytotoxicity in A498 cells.
• Uses: 4-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl]-benzamide is a novel CK1 inhibitor that potently inhibits CK1 with an IC50 value of 78 nM. D4476 has been used as a casein kinase I inhibitor (CKI) in various experiments.

Technology Process of CK1 Inhibitor

There total 1 articles about CK1 Inhibitor which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-benzonitrile (301836-42-0) → 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl]benzamide (301836-43-1)

Guidance literature:

With dihydrogen peroxide; potassium carbonate; In methanol; ethyl acetate;

upstream raw materials:

4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-benzonitrile

Refernces