structure of 2-(6-Fluoro-4-oxo-3,4-dihydroquinazolin-3-yl)acetic acid

2-(6-Fluoro-4-oxo-3,4-dihydroquinazolin-3-yl)acetic acid

CAS No.: 1000933-33-4
M. Wt: 222.17
M. Fa: C10H7FN2O3
InChI Key: YSPAAPIWKXQRPT-UHFFFAOYSA-N

Names and Identifiers of 1000933-33-4

CAS Number

1000933-33-4

MDL Number

MFCD09971501

IUPAC Name

2-(6-fluoro-4-oxoquinazolin-3-yl)acetic acid

InChI

InChI=1S/C10H7FN2O3/c11-6-1-2-8-7(3-6)10(16)13(5-12-8)4-9(14)15/h1-3,5H,4H2,(H,14,15)

InChIKey

YSPAAPIWKXQRPT-UHFFFAOYSA-N

Canonical SMILES

C1=CC2=C(C=C1F)C(=O)N(C=N2)CC(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 1000933-33-4

Acidity coefficient

3.53±0.10(Predicted)

Boiling Point

457.8±55.0 °C(Predicted)

Density

1.51±0.1 g/cm3(Predicted)

H Bond Acceptors

4

H Bond Donors

1

LogP

-0.323087698247302

Molecular Formula

C10H7FN2O3

Molecular Weight

222.17

Safety Information of 1000933-33-4

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000933-33-4

The primary applications of 2-(6-Fluoro-4-oxo-3,4-dihydroquinazolin-3-yl)acetic acid include:

  • Pharmaceutical Development: As a lead compound for developing new drugs targeting bacterial infections or cancer.
  • Research Tool: Utilized in biochemical assays to study enzyme inhibition and biological pathways.

Its unique structure also makes it suitable for further modifications to enhance efficacy or reduce toxicity.

Interaction Studies of 1000933-33-4

Interaction studies involving 2-(6-Fluoro-4-oxo-3,4-dihydroquinazolin-3-yl)acetic acid focus on its binding affinity to various biological targets. These studies often employ techniques such as:

  • Molecular docking: To predict how the compound interacts with target proteins.
  • In vitro assays: To assess the biological activity and mechanism of action against specific pathogens or cancer cells.

Such studies are crucial for understanding the therapeutic potential and safety profile of the compound.

Biological Activity of 1000933-33-4

Research indicates that compounds related to quinazolinones exhibit a range of biological activities, including antimicrobial, anti-inflammatory, and anticancer effects. Specifically, derivatives of 2-(6-Fluoro-4-oxo-3,4-dihydroquinazolin-3-yl)acetic acid have shown promise as inhibitors of various enzymes and receptors involved in disease processes. For instance, studies have highlighted their potential in targeting mycobacterial infections by inhibiting specific dehydrogenases.