250349-13-4

Basic information

• Product Name: (S)-3-BOC-AMINO-5-(CARBOXYMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE
• Synonyms: 3(S)-BOC-AMINO-2,3-DIHYDRO-4-OXO-1,5-BENZOTHIAZEPINE-5(2H)-ACETIC ACID;(S)-3-BOC-AMINO-5-(CARBONYLMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE;(S)-3-BOC-AMINO-5-(CARBOXYMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE
• CAS NO: 250349-13-4
• Molecular Formula: C₁₆H₂₀N₂O₅S
• Molecular Weight: 352.41
• Mol File: 250349-13-4.mol

Chemical Properties

• Boiling Point: 622.4±55.0 °C(Predicted)
• Appearance: /
• Density: 1.36±0.1 g/cm3(Predicted)
• Storage Temp.: Store at 0-5°C
• PKA: 3.73±0.10(Predicted)
• CAS DataBase Reference: (S)-3-BOC-AMINO-5-(CARBOXYMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-3-BOC-AMINO-5-(CARBOXYMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE(250349-13-4)
• EPA Substance Registry System: (S)-3-BOC-AMINO-5-(CARBOXYMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE(250349-13-4)

Safety Data

• Hazardous Substances Data: 250349-13-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
(S)-3-BOC-AMINO-5-(CARBOXYMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE is used as a chemical intermediate for the development of drugs targeting various medical conditions. Its unique structure and functional groups make it a promising candidate for the creation of novel therapeutic agents.
Used in Drug Synthesis:
In the field of medicinal chemistry, (S)-3-BOC-AMINO-5-(CARBOXYMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE serves as a key building block for the synthesis of more complex drug molecules. Its BOC-protected amino group and carboxymethyl group can be further modified to create a diverse range of pharmaceutical compounds with specific therapeutic properties.
Used in Research and Development:
(S)-3-BOC-AMINO-5-(CARBOXYMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE is utilized as a research tool in the study of benzothiazepine chemistry and its potential applications in drug discovery. It can help scientists understand the structure-activity relationships and optimize the design of new drugs with improved efficacy and safety profiles.

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 791045-80-2 (3-amino-4-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazepin-5-yl)-acetic acid ethyl ester 
• 209683-20-5 3(S)-[(benzyloxycarbonyl)amino]-5-(carbethoxymethyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 
• 179083-50-2 (S)-2-((tert-butoxycarbonyl)amino)-3-((2-nitrophenyl)thio)propionic acid 
• 440634-06-0 (S)-3-((2-aminophenyl)thio)-2-((tert-butoxycarbonyl)amino)propionic acid 
• 440634-11-7 (S)-3-(tert-butyloxycarbonylamino)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 
• 1493-27-2 ortho-nitrofluorobenzene 
• 209683-27-2 (S)-3-(tert-butyloxycarbonylamino)-5-(carboethoxymethyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 

Relevant articles and documents

Design and synthesis of potent bradykinin agonists containing a benzothiazepine moiety

A bradykinin analogue (H-Arg-Pro-Pro-Gly-Phe-Ser-D-BT-Arg-OH, 3) in which the Pro-Phe dipeptide was replaced by the (3S)[amino]-5- (carbonylmethyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one (D-BT) moiety has been synthesized. The same modification was perf

Design, synthesis, and biological evaluation of 1,5-benzothiazepine-4-one derivatives targeting factor VIIa/tissue factor

The 1,5-benzothiazepine-4-one scaffold was earlier shown to provide efficient protease inhibitors. In this contribution, we describe its use in the design of factor VIIa/tissue factor inhibitors. A series containing a scaffold non-substituted on its aryl part led to compound 20 with an IC50 of 2.16 μM. Following molecular modelling studies of this compound, a second series was prepared, which necessitated the synthesis of protected 7- or 8-substituted 1,5-benzothiazepine-4-one derivatives.