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TCI

CAS 163927-32-0

(S)-(+)-DBD-Py-NCS [=(S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)-2,1,3-benzoxadiazole] [for HPLC Labeling] TCI A5569

(S)-(+)-DBD-Py-NCS [=(S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)-2,1,3-benzoxadiazole] [for HPLC Labeling] TCI A5569

Chemical Identity

Other names
(S)-(+)-DBD-Py-NCS
CAS No.
163927-32-0
PubChem
CID 16218753·SID 87563186
Formula
C13H15N5O3S2
Molecular weight
353.4 g/mol
Purity
>98.0%(HPLC)
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILES
CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CC[C@@H](C3)N=C=S
InChIKey
YMXYIIXTKUQWPC-VIFPVBQESA-N
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(S)-(+)-DBD-Py-NCS is a chemical reagent widely used in analytical chemistry for derivatization processes. It plays a crucial role in laboratories by enabling the detection and identification of complex molecules through high-performance liquid chromatography (HPLC). This compound is specifically designed for labeling applications, allowing for enhanced sensitivity and specificity in analytical measurements. Its ability to bind selectively to target molecules makes it an essential tool for improving the accuracy and precision of chemical analyses.

The compound’s unique chemical structure provides stability and controlled reactivity, making it a preferred choice for modern analytical techniques. Its molecular design allows for efficient conjugation with analytes, facilitating clear separation and detection in chromatographic systems. These properties ensure reliable results, even in challenging analytical scenarios. The compound’s chemical stability also contributes to its effectiveness in various laboratory settings, supporting consistent performance across different applications.

In Indonesian laboratories, (S)-(+)-DBD-Py-NCS is commonly used in scientific and industrial research, particularly in analytical chemistry and pharmaceutical studies. It supports the development of new analytical methods and the validation of existing ones. Its role in enhancing detection capabilities makes it a valuable asset in both academic and industrial research environments, contributing to the advancement of chemical analysis in Indonesia.

Advantages (TCI brochure)

  • Reacts with amino or mercapto groups bonded to an asymmetric carbon, forming diastereomers
  • Diastereomers separated by reversed phase HPLC with fluorescence detection
  • Enantiomeric reagents commercially available, so elution order can be changed; reported use in Edman degradation

TCI brochures (PDF)

  • High-Performance Liquid Chromatography (HPLC) analysis: This reagent is ideal for HPLC due to its ability to label target compounds, improving detection sensitivity and specificity in complex sample matrices.
  • Pharmaceutical compound identification: It aids in the identification of pharmaceutical substances by enabling selective derivatization, which enhances the accuracy of analytical results.
  • Environmental sample analysis: Its use in environmental studies helps detect trace amounts of organic compounds in water and soil samples, supporting ecological and toxicological research.
  • Food safety testing: It assists in the detection of contaminants and additives in food products, ensuring compliance with safety standards and regulatory requirements.
  • Drug metabolism studies: The compound supports the analysis of metabolites and drug interactions, contributing to the development of new therapeutic agents.

From the TCI brochure

  • Optical purity determination of amines (1-phenylethylamine)

Brand TCI
CAS number 163927-32-0
Molecular formula —
Purity —
Category Analytical Chemistry > Analytical Reagents > Derivatization Reagents
Pack sizes —
Physical form —
Storage Store in a cool, dry place away from light

Data from the TCI brochure

Excitation wavelength460 nm (Fluorescence detection)
Emission wavelength550 nm (Fluorescence detection)
Detection limit (S/N = 2)0.5 pmol (Thiopronine)
Mobile phaseCH3CN / H2O = 40 / 60 containing 0.05% TFA (Kaseisorb LC ODS Super, ambient, 1 mL/min)
Reaction5 mM reagent, 1 mM amine, 2% triethylamine (CH3CN-H2O, 55 C, 10 min)

Source: TCI brochure A1096 (2026-03-10)

This reagent should be stored in a cool, dry environment, away from direct sunlight and sources of heat. It is recommended to use airtight containers to prevent moisture absorption and contamination. Proper labeling of storage containers is essential to ensure safe handling and prevent accidental exposure. Laboratory personnel should follow standard safety protocols when working with this compound, including the use of personal protective equipment such as gloves and safety goggles. While the compound is generally stable under appropriate conditions, it should be handled with care to maintain its integrity and effectiveness. Regular monitoring of storage conditions is advised to ensure optimal performance and safety in laboratory settings.

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