(S)-5-benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-1H-1,2,4-triazole-3-carboxamide

Base Information

• Chemical Name: (S)-5-benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-1H-1,2,4-triazole-3-carboxamide
• CAS No.: 1622848-92-3
• Molecular Formula: C20H19N5O3
• Molecular Weight: 377.4
• UNII: T5W3M0VO9B
• Nikkaji Number: J3.650.802G
• Wikidata: Q76801092
• Pharos Ligand ID: U66CDF3TQ48Q
• ChEMBL ID: CHEMBL4071864
• Mol file: 1622848-92-3.mol

Synonyms:1H-1,2,4-Triazole-5-carboxamide, 3-(phenylmethyl)-N-((3S)-2,3,4,5-tetrahydro-5-methyl-4-oxo-1,5-benzoxazepin-3-yl)-;3-Benzyl-N-((3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl)-1H-1,2,4-triazole-5-carboxamide;GSK2982772

Chemical Property of (S)-5-benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-1H-1,2,4-triazole-3-carboxamide

Chemical Property:

• PKA: 8.80±0.40(Predicted)
• Storage Temp.: -20°C
• Solubility.: Soluble in DMSO (>25 mg/ml)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 377.14878949
• Heavy Atom Count: 28
• Complexity: 568

Purity/Quality:

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

GSK2982772 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2OCC(C1=O)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4
• Isomeric SMILES: CN1C2=CC=CC=C2OC[C@@H](C1=O)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4
• Recent ClinicalTrials: A Study to Evaluate the Benefit and Safety of GSK2982772 in Moderate to Severe Psoriasis Participants
• Recent EU Clinical Trials: A multicentre, randomised, double-blind (sponsor-unblinded),
• Description: (S)-5-benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-4H-1,2,4-triazole-3-carboxamide, also known as GSK2982772, is a first-in-class receptor interacting protein 1(RIP1)-kinase specific clinical candidate for the treatment of inflammatory disease. It is an inhibitor of RIP1 that regulates necroptosis and inflammation and may play an important role in contributing to a variety of human pathologies, including immune-mediated inflammatory diseases. It has excellent activity in blocking many TNF-dependent cellular responses. Highlighting its potential as a novel anti-inflammatory agent, the inhibitor was also able to reduce spontaneous production of cytokines from human ulcerative colitis explants.