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

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)

Upstream product

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

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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.

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