1219960-42-5

Basic information

• Product Name: 4-(2-Methoxyethyl)-1,4-diazepan-5-one
• Synonyms: 4-(2-Methoxyethyl)-1,4-diazepan-5-one;4-(2-Methoxyethyl)-1,4-diazepan-5-one hydrochloride
• CAS NO: 1219960-42-5
• Molecular Formula: C₈H₁₆N₂O₂
• Molecular Weight: 208.68578
• Mol File: 1219960-42-5.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-(2-Methoxyethyl)-1,4-diazepan-5-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-Methoxyethyl)-1,4-diazepan-5-one(1219960-42-5)
• EPA Substance Registry System: 4-(2-Methoxyethyl)-1,4-diazepan-5-one(1219960-42-5)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 1219960-42-5(Hazardous Substances Data)

Upstream product

• 18158-16-2 benzyl 5-oxo-1,4-diazepane-1-carboxylate 
• 1359074-07-9 C₁₆H₂₂N₂O₄ 

Relevant articles and documents

Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD)

Discovery of a new class of DFG-out p38α kinase inhibitors with no hinge interaction is described. A computationally assisted, virtual fragment-based drug design (vFBDD) platform was utilized to identify novel non-aromatic fragments which make productive hydrogen bond interactions with Arg 70 on the αC-helix. Molecules incorporating these fragments were found to be potent inhibitors of p38 kinase. X-ray co-crystal structures confirmed the predicted binding modes. A lead compound was identified as a potent (p38α IC50 = 22 nM) and highly selective (≥150-fold against 150 kinase panel) DFG-out p38 kinase inhibitor.