structure of 6-Tert-butyl-2-hydroxy-pyrimidine-4-carboxylic acid

6-Tert-butyl-2-hydroxy-pyrimidine-4-carboxylic acid

CAS No.: 1000353-37-6
M. Wt: 196.20300
M. Fa: C9H12N2O3
InChI Key: VJBOARHIJSWQLY-UHFFFAOYSA-N

Names and Identifiers of 1000353-37-6

CAS Number

1000353-37-6

MDL Number

MFCD26959388

IUPAC Name

6-tert-butyl-2-oxo-1H-pyrimidine-4-carboxylic acid

InChI

InChI=1S/C9H12N2O3/c1-9(2,3)6-4-5(7(12)13)10-8(14)11-6/h4H,1-3H3,(H,12,13)(H,10,11,14)

InChIKey

VJBOARHIJSWQLY-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)C1=CC(=NC(=O)N1)C(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 1000353-37-6

Exact Mass

196.08500

LogP

1.17790

Molecular Formula

C9H12N2O3

Molecular Weight

196.20300

PSA

83.31000

Safety Information of 1000353-37-6

Pictograms

Signal Word

 Warning

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

Applications of 1000353-37-6

The compound has several notable applications:

  • Research Tool: Frequently used in proteomics and biochemical research due to its ability to interact with various biological molecules.
  • Pharmaceutical Development: Its unique structure makes it a candidate for developing new therapeutic agents targeting specific diseases.
  • Agricultural Chemistry: Investigated for potential use as a plant growth regulator or pesticide due to its biological activity.

Interaction Studies of 1000353-37-6

Interaction studies have focused on how 6-tert-butyl-2-hydroxy-pyrimidine-4-carboxylic acid interacts with proteins and enzymes:

  • Binding Affinity: Studies have assessed its binding affinity to various receptors and enzymes, providing insights into its mechanism of action.
  • Metabolic Pathways: Research has explored how this compound influences metabolic pathways, potentially affecting drug metabolism and efficacy.

These studies are crucial for understanding its pharmacokinetics and pharmacodynamics.

Biological Activity of 1000353-37-6

Research indicates that 6-tert-butyl-2-hydroxy-pyrimidine-4-carboxylic acid exhibits various biological activities, including:

  • Antioxidant Properties: It has shown potential in scavenging free radicals, which may contribute to its protective effects against oxidative stress.
  • Enzyme Inhibition: Some studies suggest it may inhibit specific enzymes involved in metabolic pathways, potentially impacting drug metabolism and efficacy.
  • Pharmacological Effects: Preliminary research indicates possible anti-inflammatory and analgesic effects, warranting further investigation into its therapeutic potential.