134997-74-3

Basic information

• Product Name: 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile
• Synonyms: 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile;3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbonitrile;2H-1,4-Benzoxazine-6-carbonitrile, 3,4-dihydro-3-oxo-
• CAS NO: 134997-74-3
• Molecular Formula: C9H6N2O2
• Molecular Weight: 174.16
• Mol File: 134997-74-3.mol
• Article Data: 16

Chemical Properties

• Melting Point: 106-108 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
• Boiling Point: 403.2±45.0 °C(Predicted)
• Appearance: /
• Density: 1.39±0.1 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 11.77±0.20(Predicted)
• CAS DataBase Reference: 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile(134997-74-3)
• EPA Substance Registry System: 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile(134997-74-3)

Safety Data

• Hazardous Substances Data: 134997-74-3(Hazardous Substances Data)

Usage

General Description

3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile is a chemical compound with the molecular formula C10H6N2O and a molecular weight of 174.17 g/mol. It is a heterocyclic compound containing a benzoxazine ring with a carbonitrile functional group. 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile may be used in pharmaceutical research for the development of potential drugs due to its unique structure and potential biological activity. Its synthesis and properties may be of interest to chemists and biochemists studying organic and medicinal chemistry.

Upstream product

• 557-21-1 zinc(II) cyanide 
• 24036-52-0 6-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-one 
• 55197-32-5 (4-Cyano-2-nitro-phenoxy)-acetic acid ethyl ester 
• 14543-43-2 3-amino-4-hydroxybenzonitrile 
• 598-21-0 2-Bromoacetyl bromide 
• 79-04-9 chloroacetyl chloride 
• 3272-08-0 4-hydroxy-3-nitrobenzonitrile 
• 1026273-07-3 2-Bromo-N-(5-cyano-2-hydroxy-phenyl)-acetamide 
• 7652-29-1 6-chloro-2H-1,4-benzoxazin-3(4H)-one 
• 557-21-1 dicyanozinc 
• 544-92-3 copper(I) cyanide 

Downstream Products

• 604756-32-3 methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate 
• 916211-06-8 6-(aminomethyl)-2H-benzo[1,4]oxazin-3(4H)-one hydrochloride 

Relevant articles and documents

Discovery and evaluation of a non-Zn chelating, selective matrix metalloproteinase 13 (MMP-13) inhibitor for potential intra-articular treatment of osteoarthritis

Osteoarthritis (OA) is a nonsystemic disease for which no oral or parenteral disease-modifying osteoarthritic drug (DMOAD) is currently available. Matrix metalloproteinase 13 (MMP-13) has attracted attention as a target with disease-modifying potential because of its major role in tissue destruction associated with OA. Being localized to one or a few joints, OA is amenable to intra-articular (IA) therapy, which has distinct advantages over oral therapies in terms of increasing therapeutic index, by maximizing drug delivery to cartilage and minimizing systemic exposure. Here we report on the synthesis and biological evaluation of a non-zinc binding MMP-13 selective inhibitor, 4-methyl-1-(S)-({5-[(3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethyl)carbamoyl] pyrazolo[1,5-a]pyrimidine-7-carbonyl}amino)indan-5-carboxylic acid (1), that is uniquely suited as a potential IA-DMOAD: it has long durability in the joint, penetrates cartilage effectively, exhibits nearly no detectable systemic exposure, and has remarkable efficacy.

MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES

The present invention relates generally to bis-amide containing MMP inhibiting compounds, and more particularly to selectively deuterated bis-amide MMP-13 inhibiting compounds that exhibit increased stability or potency in relation to currently known MMP-

HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS

The present invention relates generally to amide containing heterobicyclic containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibiting compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-3 and/or MMP-13 inhibiting compounds, that exhibit an increased potency and selectivity in relation to currently known MMP-13 and MMP-3 inhibitors.