250349-14-5

Basic information

• Product Name: (R)-3-BOC-AMINO-5-(CARBONYLMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE
• Synonyms: (R)-3-BOC-AMINO-5-(CARBOXYMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE;(R)-3-BOC-AMINO-5-(CARBONYLMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE;(R)-3-BOC-AMINO-5-(CARBONYLMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE : L-BT;(R)-BOC-3-AMINO-5-CARBOXYMETHYL-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE
• CAS NO: 250349-14-5
• Molecular Formula: C₁₆H₂₀N₂O₅S
• Molecular Weight: 352.41
• Mol File: 250349-14-5.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 622.4±55.0 °C(Predicted)
• Appearance: /
• Density: 1.36±0.1 g/cm3(Predicted)
• PKA: 3.73±0.10(Predicted)
• CAS DataBase Reference: (R)-3-BOC-AMINO-5-(CARBONYLMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-3-BOC-AMINO-5-(CARBONYLMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE(250349-14-5)
• EPA Substance Registry System: (R)-3-BOC-AMINO-5-(CARBONYLMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE(250349-14-5)

Safety Data

• Hazardous Substances Data: 250349-14-5(Hazardous Substances Data)

Usage

General Description

"(R)-3-BOC-AMINO-5-(CARBONYLMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE" is a chemical compound with a complex structure, containing a BOC-protected amino group and a benzothiazepinone ring system. It is a potential intermediate in the synthesis of pharmaceutical compounds due to its unique structure and properties. The compound may have potential applications in medicinal chemistry, particularly in the development of new drugs or as a building block for more complex organic synthesis. However, further research is needed to fully understand its potential uses and properties.

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 94668-22-1 (R)-3,4-dihydro-3-amino-4-oxo-1,5-benzothiazepine-5(2H)-acetic acid, ethyl ester 
• 94590-37-1 3(R)-[(benzyloxycarbonyl)amino]-5-(carbethoxymethyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 
• 440634-12-8 tert-butyl (R)-(4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepine-3-yl)carbamate 
• 356548-98-6 (2R)-2-[(tert-butoxycarbonyl)amino]-3-[(2-nitrophenyl)sulfanyl]propanoic acid 
• 116850-42-1 (R)-3-((2-aminophenyl)thio)-2-((tert-butoxycarbonyl)amino)propanoic acid 
• 1493-27-2 ortho-nitrofluorobenzene 
• 20887-95-0 N-(tert-Butyloxycarbonyl)-L-cysteine 
• 440634-17-3 (R)-3-(tert-butyloxycarbonylamino)-5-(carboethoxymethyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 

Relevant articles and documents

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.

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