769858-09-5

Basic information

• Product Name: 2,3,4,5-tetrahydro-1λ6,4-benzothiazepine 1,1-dioxide
• CAS NO: 769858-09-5
• Molecular Weight: 197.258
• Mol File: 769858-09-5.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 410.6±45.0 °C(Predicted)
• Density: 1.259±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 2,3,4,5-tetrahydro-1λ6,4-benzothiazepine 1,1-dioxide(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3,4,5-tetrahydro-1λ6,4-benzothiazepine 1,1-dioxide(769858-09-5)
• EPA Substance Registry System: 2,3,4,5-tetrahydro-1λ6,4-benzothiazepine 1,1-dioxide(769858-09-5)

Safety Data

• Hazardous Substances Data: 769858-09-5(Hazardous Substances Data)

Usage

General Description

2,3,4,5-tetrahydro-1λ6,4-benzothiazepine 1,1-dioxide is a chemical compound that belongs to the class of benzothiazepine derivatives. It is a heterocyclic compound containing a benzene ring fused to a seven-membered thiazepine ring. This chemical has shown potential pharmaceutical activity in the central nervous system, particularly as a calcium channel blocker, making it useful in the treatment of cardiovascular diseases and hypertension. Its chemical structure and properties make it a valuable compound in medicinal chemistry and drug development, with potential applications in the field of pharmacology and therapy.

Upstream product

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• 930-69-8 sodium thiophenolate 
• 58980-39-5 2,3,4,5-Tetrahydro-1,4-benzothiazepine 
• 1422496-40-9 1-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)ethanone 
• 14944-00-4 3,4-dihydro-1,4-benzothiazepin-5(2H)-one 
• 4892-02-8 Methyl thiosalicylate 
• 147-93-3 Thiosalicylic acid 
• 14953-97-0 2,3,4,5-tetrahydro-5H-1,4-benzothiazepine hydrochloride 

Relevant articles and documents

Discovery of Benzoazepinequinoline (BAQ) Derivatives as Novel, Potent, Orally Bioavailable Respiratory Syncytial Virus Fusion Inhibitors

A novel benzoazepinequnoline (BAQ) series was discovered as RSV fusion inhibitors. BAQ series originated from compound 2, a hit from similarity-based virtual screening. In SAR exploration, benzoazepine allowed modifications in the head moiety. Benzylic sulfonyl on benzoazepine and 6-Me on quinoline were crucial for good anti-RSV activity. Although the basic amine in the head portion was crucial for anti-RSV activity, the attenuated basicity was required to reduce Vss. Introducing oxetane to the head portion led to discovery of compound 1, which demonstrated single-digit nM anti-RSV activity against different RSV strains, reasonable oral exposure in plasma, and 78-fold higher exposure in lung. Compound 1 also displayed 1 log viral reduction in a female BALB/c mice RSV model by b.i.d. oral dosing at 12.5 mg/kg. A single resistant mutant at L138F in fusion protein proved compound 1 to be a RSV fusion inhibitor.

PROCESS FOR THE PREPARATION OF N-[(3-AMINOOXETAN-3-YL)METHYL]-2-(1,1-DIOXO-3,5-DIHYDRO-1,4-BENZOTHIAZEPIN-4-YL)-6-METHYL-QUINAZOLIN-4-AMINE

The present invention relates to a novel process for the preparation of a compound of the formula (I) and pharmaceutically acceptable acid addition salts thereof, which is useful for prophylaxis and treatment of respiratory syncytial virus (RSV) infection in mammal or human being.

COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE

A compound of formula (I) as well as pharmaceutically acceptable salt thereof, wherein R1, R2 and X are as defined in description and in claims, can be used as a medicament.