Ethyl-8-azido-5,6-dihydro-5-methyl-6-oxo-4H-imidazo-1,4-benzodiazepine-3-carboxylate

Base Information

• Chemical Name: Ethyl-8-azido-5,6-dihydro-5-methyl-6-oxo-4H-imidazo-1,4-benzodiazepine-3-carboxylate
• CAS No.: 91917-65-6
• Molecular Formula: C15H14N6O3
• Molecular Weight: 326.3101
• UNII: S5XGL82O5Y
• DSSTox Substance ID: DTXSID80238763
• Nikkaji Number: J248.064F
• Wikipedia: Ro15-4513
• Wikidata: Q7339199
• Pharos Ligand ID: 7X3GVWJQHWPZ
• ChEMBL ID: CHEMBL6597
• Mol file: 91917-65-6.mol

Synonyms:ethyl-8-azido-5,6-dihydro-5-methyl-6-oxo-4H-imidazo-1,4-benzodiazepine-3-carboxylate;Ro 15-4513;RO-154513;Ro15-4513

Chemical Property of Ethyl-8-azido-5,6-dihydro-5-methyl-6-oxo-4H-imidazo-1,4-benzodiazepine-3-carboxylate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 114.18000
• Density: g/cm³
• LogP: 1.96706
• Storage Temp.: Desiccate at +4°C
• Solubility.: 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.8 mg/mL
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 326.11273833
• Heavy Atom Count: 24
• Complexity: 563

Purity/Quality:

97% ^*data from raw suppliers

Ro 15-4513 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Uses -> Biochemical Research
• Canonical SMILES: CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)N=[N+]=[N-])C
• Description: Ro 15-4513 is a partial inverse agonist of benzodiazepine receptors. It acts as a competitive antagonist, and can therefore be an antidote to the acute impairment caused by alcohol. Ro 15-4513's Ki values are 3.1 and 5.3 nM for diazepam-insensitive (DI) and diazepam-sensitive (DS) benzodiazepine receptors respectively. Ro 15-4513 displays partial agonism at DI α4- and α6-GABAA receptors.
• Uses: Ro 15-4513 has been used as a benzodiazepine (Bz) inverse agonist in rats and to test its binding with diazepam-sensitive (DS) receptors in in vitro radioligand binding studies. Ro 15-4513 is an alcohol antagonist.

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