structure of 4-(4-Hydroxy-6-methyl-pyrimidin-2-ylamino)-benzoic acid

4-(4-Hydroxy-6-methyl-pyrimidin-2-ylamino)-benzoic acid

CAS No.: 99989-32-9
M. Wt: 245.23400
M. Fa: C12H11N3O3
InChI Key: MOXOHCNEDWVSIE-UHFFFAOYSA-N

Names and Identifiers of 99989-32-9

CAS Number

99989-32-9

IUPAC Name

4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]benzoic acid

InChI

InChI=1S/C12H11N3O3/c1-7-6-10(16)15-12(13-7)14-9-4-2-8(3-5-9)11(17)18/h2-6H,1H3,(H,17,18)(H2,13,14,15,16)

InChIKey

MOXOHCNEDWVSIE-UHFFFAOYSA-N

Canonical SMILES

CC1=CC(=O)NC(=N1)NC2=CC=C(C=C2)C(=O)O

Physical and chemical properties of 99989-32-9

Acidity coefficient

4.25±0.10(Predicted)

Boiling Point

442.2±47.0 °C(Predicted)

Density

1.41±0.1 g/cm3(Predicted)

Exact Mass

245.08000

LogP

2.00540

Melting Point

307-308 °C (decomp)

Molecular Formula

C12H11N3O3

Molecular Weight

245.23400

PSA

95.34000

Applications of 99989-32-9

The applications of 4-(4-Hydroxy-6-methyl-pyrimidin-2-ylamino)-benzoic acid span various fields:

  • Pharmaceuticals: Its potential as an antitumor and antimicrobial agent positions it for use in drug development.
  • Agricultural Chemicals: The compound may also find applications as a pesticide or herbicide due to its biological activity against plant pathogens.
  • Biochemical Research: It serves as a tool in biochemical assays to study enzyme inhibition and metabolic pathways.

Interaction Studies of 99989-32-9

Interaction studies reveal that 4-(4-Hydroxy-6-methyl-pyrimidin-2-ylamino)-benzoic acid can interact with various biological targets:

  • Protein Binding: Investigations into its binding affinity with proteins suggest that it may modulate enzyme activity or receptor function.
  • Synergistic Effects: When combined with other compounds, it may exhibit synergistic effects that enhance therapeutic efficacy.

Such studies are crucial for understanding its mechanism of action and optimizing its use in therapeutic contexts.

Biological Activity of 99989-32-9

Research indicates that 4-(4-Hydroxy-6-methyl-pyrimidin-2-ylamino)-benzoic acid exhibits significant biological activities. It has been studied for its potential as an:

  • Antitumor Agent: The compound shows promise in inhibiting cancer cell proliferation.
  • Antimicrobial Compound: It has demonstrated activity against various bacterial strains.
  • Enzyme Inhibitor: Specific studies suggest it may inhibit certain enzymes involved in metabolic pathways.

These biological properties make it a candidate for further development in pharmaceutical applications.