383187-85-7

Basic information

• Product Name: (4-Oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-acetic acid
• Synonyms: (4-Oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-acetic acid
• CAS NO: 383187-85-7
• Molecular Formula: C₁₁H₁₁NO₃S
• Molecular Weight: 237.27494
• Mol File: 383187-85-7.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: (4-Oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-acetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (4-Oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-acetic acid(383187-85-7)
• EPA Substance Registry System: (4-Oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-acetic acid(383187-85-7)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 383187-85-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
(4-Oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-acetic acid is used as a potential calcium channel blocker for the treatment of cardiovascular diseases. Its chemical structure, which is similar to diltiazem, suggests that it may have the ability to block calcium channels, thus helping in the management of high blood pressure and chest pain conditions.
Further research and development are necessary to understand the full extent of its pharmacological properties and to establish its potential therapeutic uses in the treatment of various cardiovascular conditions.

Upstream product

• 137-07-5 2-amino-benzenethiol 
• 53454-43-6 2,3-dihydro-1,5-benzothiazepine-4(5H)-one 
• 913687-69-1 2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoic acid methyl ester 

Downstream Products

• 383187-91-5 N-[1-(S)-(2-tert-butoxycarbonylaminoethylcarbamoyl)-2-phenylethyl]-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide 
• 383187-92-6 N-[1-(R)-(2-tert-butoxycarbonylaminoethylcarbamoyl)-2-phenylethyl]-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide 

Relevant articles and documents

Isolation and characterization of atropisomers of seven-membered-ring benzolactams

The atropisomeric properties of seven-membered-ring benzolactams (7a-c and 8a) [1,5-benzodiazepin-2-one (a), 1,5-benzothiazepin-4-one (b), and 1-benzazepin-2-one (c)] were examined. The atropisomers were isolated as the diastereomers with an (S)-phenethyl

N-Heteroaryl glycinamides and glycinamines as potent NPY5 antagonists

Subtype specific ligands are needed to evaluate the therapeutic potential of modulating the brain's neuropeptide Y system. The benzothiazepine glycinamide 1a was identified as an NPY5 antagonist lead. While having acceptable solubility, the compound was f

Rational design, discovery, and synthesis of a novel series of potent growth hormone secretagogues

In the joint experimental and computational efforts reported here to obtain novel chemical entities as growth hormone secretagogues (GHSs), a small database of peptides and non-peptides known to have GHS activity was used to generate and assess a 3D pharmacophore for this activity. This pharmacophore was obtained using a systematic and efficient procedure, "DistComp", developed in our laboratory. The 3D pharmacophore identified was then used to search 3D databases to explore chemical structures that could be novel GHSs. A number of these were chosen for synthesis and assessment of their ability to release growth hormone (GH) from rat pituitary cells. Among the compounds tested, those with a benzothiazepin scaffold were discovered with micromolar activity. To facilitate lead optimization, a second program, a site-dependent fragment QSAR procedure was developed. This program calculates a library of chemical and physical properties of "fragments" or chemical components in a known pharmacophore and determines which, if any, of these properties are important for the observed activity. The combined use of the 3D pharmacophore and the results of the site-dependent fragment QSAR analysis led to the discovery and synthesis of a novel series of potent GHSs, a number of which had nanomolar in vitro activity.