structure of (6-(Piperazin-1-yl)pyridin-3-yl)boronic acid

(6-(Piperazin-1-yl)pyridin-3-yl)boronic acid

CAS No.: 1003043-67-1
M. Wt: 207.037
M. Fa: C9H14BN3O2
InChI Key: JICCVPKLABRNMW-UHFFFAOYSA-N
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Names and Identifiers of 1003043-67-1

CAS Number

1003043-67-1

MDL Number

MFCD11975410

IUPAC Name

(6-piperazin-1-ylpyridin-3-yl)boronic acid

InChI

InChI=1S/C9H14BN3O2/c14-10(15)8-1-2-9(12-7-8)13-5-3-11-4-6-13/h1-2,7,11,14-15H,3-6H2

InChIKey

JICCVPKLABRNMW-UHFFFAOYSA-N

Canonical SMILES

B(C1=CN=C(C=C1)N2CCNCC2)(O)O

UNSPSC Code

12352100

Physical and chemical properties of 1003043-67-1

Boiling Point

469.7±55.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

207.117905

Flash Point

237.9±31.5 °C

Index of Refraction

1.600

LogP

-0.44

Molecular Formula

C9H14BN3O2

Molecular Weight

207.037

PSA

68.62000

Storage condition

2-8°C

Vapour Pressure

0.0±1.2 mmHg at 25°C

Safety Information of 1003043-67-1

Pictograms

Signal Word

 Warning

Safety Data Sheet
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Applications of 1003043-67-1

(6-(Piperazin-1-yl)pyridin-3-yl)boronic acid finds applications across various fields:

  • Organic Synthesis: As a versatile building block for constructing complex organic molecules.
  • Pharmaceutical Development: Investigated for potential therapeutic agents targeting specific biological pathways.
  • Material Science: Utilized in developing new materials with tailored properties through polymerization processes involving boronic acids.

These applications underscore its significance in both academic research and industrial settings.

Interaction Studies of 1003043-67-1

Interaction studies involving (6-(Piperazin-1-yl)pyridin-3-yl)boronic acid focus on its binding affinity with biological targets. Research indicates that this compound can interact with specific proteins or enzymes, influencing their activity. Such studies are crucial for understanding its pharmacodynamics and optimizing its efficacy as a drug candidate.

Additionally, computational modeling approaches are employed to predict interaction profiles, aiding in the design of more potent derivatives.

Biological Activity of 1003043-67-1

The biological activity of (6-(Piperazin-1-yl)pyridin-3-yl)boronic acid has been explored in various studies. It has shown potential as an inhibitor for certain enzymes and receptors, making it relevant in drug design and development. Specifically, compounds containing piperazine and pyridine moieties are often investigated for their pharmacological properties, including:

  • Anticancer activity: Some derivatives exhibit selective cytotoxicity against cancer cell lines.
  • Antimicrobial properties: Potential effectiveness against bacterial infections has been noted.

Further research is required to fully elucidate its mechanisms of action and therapeutic potential.

Physical sample testing spectrum (NMR) of 1003043-67-1

Physical sample testing spectrum (NMR) of 1003043-67-1