structure of S-Metolachlor CGA 357704

S-Metolachlor CGA 357704

CAS No.: 1217465-10-5
M. Wt: 279.28800
M. Fa: C14H17NO5
InChI Key: IMFSUYMDPTXKCC-VIFPVBQESA-N

Names and Identifiers of S-Metolachlor CGA 357704

CAS Number

1217465-10-5

IUPAC Name

(2S)-2-(2-ethyl-6-methyl-N-oxaloanilino)propanoic acid

InChI

InChI=1S/C14H17NO5/c1-4-10-7-5-6-8(2)11(10)15(9(3)13(17)18)12(16)14(19)20/h5-7,9H,4H2,1-3H3,(H,17,18)(H,19,20)/t9-/m0/s1

InChIKey

IMFSUYMDPTXKCC-VIFPVBQESA-N

Canonical SMILES

CCC1=CC=CC(=C1N(C(C)C(=O)O)C(=O)C(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1N([C@@H](C)C(=O)O)C(=O)C(=O)O)C

Physical and chemical properties of S-Metolachlor CGA 357704

Acidity coefficient

-0.06±0.54(Predicted)

Boiling Point

475.8±55.0 °C(Predicted)

Density

1.312±0.06 g/cm3(Predicted)

Exact Mass

279.11100

LogP

1.44810

Molecular Formula

C14H17NO5

Molecular Weight

279.28800

PSA

94.91000

Safety Information of S-Metolachlor CGA 357704

Pictograms

Signal Word

 Warning

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

Applications of S-Metolachlor CGA 357704

(2S)-2-(2-ethyl-6-methyl-N-oxaloanilino)propanoic acid has potential applications in various fields:

  • Pharmaceutical Development: Its predicted biological activities make it a candidate for drug development targeting cancer and inflammatory diseases.
  • Biochemical Research: It can be used as a probe in studies investigating metabolic pathways or enzyme interactions.
  • Nutraceuticals: Given its potential health benefits, it may find use in dietary supplements aimed at improving health outcomes .

Interaction Studies of S-Metolachlor CGA 357704

Interaction studies involving (2S)-2-(2-ethyl-6-methyl-N-oxaloanilino)propanoic acid focus on its binding affinity and efficacy against various biological targets:

  • Enzyme Inhibition Studies: Assessing how well the compound inhibits specific enzymes involved in disease pathways.
  • Receptor Binding Assays: Investigating its interaction with cellular receptors to understand its mechanism of action.
  • Toxicity Assessments: Evaluating potential cytotoxic effects on normal versus cancerous cells to determine therapeutic windows .

Biological Activity of S-Metolachlor CGA 357704

The biological activity of (2S)-2-(2-ethyl-6-methyl-N-oxaloanilino)propanoic acid has been predicted through computational methods that analyze structure-activity relationships. Such predictions indicate potential therapeutic applications, particularly in areas such as:

  • Anticancer Activity: Compounds with similar structures have shown promise in inhibiting tumor growth and proliferation.
  • Anti-inflammatory Effects: The compound may exhibit properties that reduce inflammation, making it a candidate for treating inflammatory diseases.
  • Antioxidant Properties: It could potentially scavenge free radicals, providing protective effects against oxidative stress .