304854-07-7

Basic information

• Product Name: 5-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)-2-FLUOROBENZONITRILE
• Synonyms: 5-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)-2-FLUOROBENZONITRILE
• CAS NO: 304854-07-7
• Molecular Formula: C₁₇H₁₃FN₂O₂
• Molecular Weight: 296.3
• Mol File: 304854-07-7.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 404.3±45.0 °C(Predicted)
• Appearance: /
• Density: 1.33±0.1 g/cm3(Predicted)
• PKA: 13.19±0.40(Predicted)
• CAS DataBase Reference: 5-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)-2-FLUOROBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)-2-FLUOROBENZONITRILE(304854-07-7)
• EPA Substance Registry System: 5-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)-2-FLUOROBENZONITRILE(304854-07-7)

Safety Data

• Hazardous Substances Data: 304854-07-7(Hazardous Substances Data)

Usage

General Description

5-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)-2-FLUOROBENZONITRILE is a chemical compound with the molecular formula C18H14FN3O2. It is a benzodiazepine receptor ligand and a potential antianxiety drug. 5-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)-2-FLUOROBENZONITRILE is also known for its sedative, hypnotic, and muscle relaxant properties. Its chemical structure contains a benzonitrile group and a fluorobenzene moiety, which are important for its biological activity. 5-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)-2-FLUOROBENZONITRILE has potential therapeutic applications in the treatment of anxiety and other related disorders.

Upstream product

• 304853-89-2 2-(2-amino-5-bromophenyl)-propan-2-ol 
• 21440-97-1 brofoxine 
• 105942-08-3 4-bromo-6-fluorobenzonitrile 
• 304853-90-5 (1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid 

Relevant articles and documents

6-Aryl-1,4-dihydro-benzo[d][1,3]oxazin-2-ones: A novel class of potent, selective, and orally active nonsteroidal progesterone receptor antagonists

Novel 6-aryl-1,4-dihydro-benzo[d][1,3]oxazin-2-ones were synthesized and tested as progesterone receptor (PR) antagonists. These compounds were potent and showed good selectivity for PR over other steroid receptors such as the glucocorticoid and androgen receptors (e.g., greater than 80-fold selectivity at PR for 4h). Numerous 6-aryl benzoxazinones (e.g., 4h-j) were active orally in the uterine decidualization and component C3 assays in the rats. In these in vivo models, 4h had potencies comparable to mifepristone (1).

Combination regimens using progesterone receptor modulators

This invention relates to cyclic combination therapies and regimens utilizing substituted indoline derivative compounds which are antagonists of the progesterone receptor having the general structure: wherein R1and R2may be single substituents or fused to form spirocyclic or hetero-spirocyclic rings; R3is H, OH, NH2, C1to C6alkyl, substituted C1to C6allyl C3to C6alkenyl, substituted C1to C6alkenyl, alkynyl, or substituted alknyl, CORC; RCis H, C1to C3alkyl, substituted C1to C3alkyl, aryl, substituted aryl, C1to C3alkoxy, substituted C1to C3alkoxy, C1to C3aminoalkyl, or substituted C1to C3aminoalkyl; R4is H, halogen, CN, NO2, C1to C6alkyl, substituted C1to C6alkyl alkynyl, or substituted alkynyl, C1to C6alkoxy, substituted C1to C6alkoxy, amino, C1to C6aminoalkyl, or substituted C1to C6aminoalkyl; and R5is selected from a trisubstituted benzene ring of a five or six membered ring with 1, 2, or 3 heteroatoms from the group including O, S, SO, SO2or NR6and containing one or two independent substituents from the group including H, halogen, CN, NO2, amino, and C1to C3alkyl, C1to C3alkoxy, C1to C3aminoalkyl, CORF, or NRGCORF; or pharmaceutically acceptable salt thereof. These methods of treatment may be used for contraception or for the treatment and/or prevention of secondary amenorrhea, dysfunctional bleeding, uterine leiomyomata, endometriosis; polycystic ovary syndrome, carcinomas and adenocarcinomas of the endometrium, ovary, breast, colon, prostate, or inmization of side effects or cyclic menstrual bleeding. Additional uses of the invention include stimulation of food intake.