structure of 4-Methyl-2-(2,5,6-trimethyl-3-oxo-2,3-dihydropyridazin-4-yl)-1,3-thiazole-5-carboxylic acid

4-Methyl-2-(2,5,6-trimethyl-3-oxo-2,3-dihydropyridazin-4-yl)-1,3-thiazole-5-carboxylic acid

CAS No.: 1000931-44-1
M. Wt: 279.32
M. Fa: C12H13N3O3S
InChI Key: IABJIKOAFMMHHZ-UHFFFAOYSA-N

Names and Identifiers of 1000931-44-1

CAS Number

1000931-44-1

EC Number

824-870-3

MDL Number

MFCD09863274

IUPAC Name

4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxylic acid

InChI

InChI=1S/C12H13N3O3S/c1-5-6(2)14-15(4)11(16)8(5)10-13-7(3)9(19-10)12(17)18/h1-4H3,(H,17,18)

InChIKey

IABJIKOAFMMHHZ-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C(=O)N(N=C1C)C)C2=NC(=C(S2)C(=O)O)C

UNSPSC Code

12352100

Physical and chemical properties of 1000931-44-1

H Bond Acceptors

5

H Bond Donors

1

LogP

1.18031356533333

Molecular Formula

C12H13N3O3S

Molecular Weight

279.32

Safety Information of 1000931-44-1

Pictograms

Signal Word

 Warning

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

Applications of 1000931-44-1

The compound has potential applications in various fields:

  • Medicinal Chemistry: Due to its biological activities, it may serve as a lead compound for developing new pharmaceuticals.
  • Agricultural Chemistry: Its antimicrobial properties could be leveraged in developing agricultural products.
  • Material Science: The unique structure may find applications in creating novel materials or coatings.

Interaction Studies of 1000931-44-1

Interaction studies are crucial for understanding how 4-Methyl-2-(2,5,6-trimethyl-3-oxo-2,3-dihydropyridazin-4-yl)-1,3-thiazole-5-carboxylic acid interacts with biological systems:

  • Protein Binding Studies: These studies assess how well the compound binds to target proteins, which is essential for determining its efficacy as a drug.
  • Cellular Uptake Studies: Understanding how the compound enters cells can inform its potential therapeutic uses.
  • Toxicity Assessments: Evaluating any toxic effects on human cells or model organisms is critical for safety evaluations.

Biological Activity of 1000931-44-1

The biological activity of 4-Methyl-2-(2,5,6-trimethyl-3-oxo-2,3-dihydropyridazin-4-yl)-1,3-thiazole-5-carboxylic acid has been of interest in various studies:

  • Antimicrobial Properties: Preliminary studies suggest that this compound exhibits antimicrobial activity against certain bacterial strains.
  • Antioxidant Activity: It may possess antioxidant properties, contributing to its potential therapeutic applications.
  • Enzyme Inhibition: Research indicates that it could inhibit specific enzymes, making it a candidate for drug development targeting various diseases.