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(S)-3-BOC-AMINO-5-(CARBOXYMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE is a chemical compound belonging to the benzothiazepine class. It is a derivative of 1,5-benzothiazepin-4-one, featuring a BOC-protected amino group and a carboxymethyl group. (S)-3-BOC-AMINO-5-(CARBOXYMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE holds potential for pharmaceutical applications, particularly in the development of therapeutic drugs for various medical conditions. Further research and assessment are required to determine its specific properties and potential uses.

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  • (S)-3-BOC-AMINO-5-(CARBOXYMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE

    Cas No: 250349-13-4

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  • 250349-13-4 Structure
  • Basic information

    1. Product Name: (S)-3-BOC-AMINO-5-(CARBOXYMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE
    2. 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
    3. CAS NO:250349-13-4
    4. Molecular Formula: C16H20N2O5S
    5. Molecular Weight: 352.41
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 250349-13-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 622.4±55.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.36±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Store at 0-5°C
    8. Solubility: N/A
    9. PKA: 3.73±0.10(Predicted)
    10. CAS DataBase Reference: (S)-3-BOC-AMINO-5-(CARBOXYMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE(CAS DataBase Reference)
    11. NIST Chemistry Reference: (S)-3-BOC-AMINO-5-(CARBOXYMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE(250349-13-4)
    12. EPA Substance Registry System: (S)-3-BOC-AMINO-5-(CARBOXYMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE(250349-13-4)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 250349-13-4(Hazardous Substances Data)

250349-13-4 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.

Check Digit Verification of cas no

The CAS Registry Mumber 250349-13-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,5,0,3,4 and 9 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 250349-13:
(8*2)+(7*5)+(6*0)+(5*3)+(4*4)+(3*9)+(2*1)+(1*3)=114
114 % 10 = 4
So 250349-13-4 is a valid CAS Registry Number.

250349-13-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name (S)-3-BOC-AMINO-5-(CARBOXYMETHYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE

1.2 Other means of identification

Product number -
Other names Boc-D-Asp-OBut

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:250349-13-4 SDS

250349-13-4Downstream Products

250349-13-4Relevant articles and documents

Design and synthesis of potent bradykinin agonists containing a benzothiazepine moiety

Amblard, Muriel,Daffix, Isabelle,Bedos, Philippe,Bergé, Gilbert,Pruneau, Didier,Paquet, Jean-Luc,Luccarini, Jean-Michel,Bélichard, Pierre,Dodey, Pierre,Martinez, Jean

, p. 4185 - 4192 (1999)

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

Ayral, Erwan,Gloanec, Philippe,Berge, Gilbert,de Nanteuil, Guillaume,Mennecier, Philippe,Rupin, Alain,Verbeuren, Tony J.,Fulcrand, Pierre,Martinez, Jean,Hernandez, Jean-Francois

supporting information; scheme or table, p. 1386 - 1391 (2009/10/15)

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.

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