structure of Ethyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate

Ethyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate

CAS No.: 1000018-71-2
M. Wt: 293.31800
M. Fa: C14H19N3O4
InChI Key: -

Names and Identifiers of 1000018-71-2

CAS Number

1000018-71-2

IUPAC Name

ethyl 4-(4-methylpiperazin-1-yl)-3-nitro-benzoate

Canonical SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C)[N+](=O)[O-]

Physical and chemical properties of 1000018-71-2

Exact Mass

293.13800

LogP

2.04940

Melting Point

73-74

Molecular Formula

C14H19N3O4

Molecular Weight

293.31800

PSA

78.60000

Applications of 1000018-71-2

Ethyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate has potential applications in various fields:

  • Pharmaceutical Development: Its unique structure may lead to the development of new drugs targeting bacterial infections or cancer.
  • Chemical Research: Used as a precursor for synthesizing other complex molecules in organic chemistry.
  • Agricultural Chemistry: Potential use as a pesticide or herbicide due to its biological activity.

Interaction Studies of 1000018-71-2

Studies on Ethyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate's interactions with biological systems are crucial for understanding its pharmacological profile. Key areas of interest include:

  • Receptor Binding Studies: Investigating how this compound interacts with specific receptors in the central nervous system.
  • Enzyme Inhibition Assays: Assessing its ability to inhibit enzymes related to disease pathways.
  • Toxicological Assessments: Evaluating its safety profile and potential side effects in biological systems.

Biological Activity of 1000018-71-2

Preliminary studies suggest that compounds similar to Ethyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate exhibit various biological activities, including:

  • Antimicrobial Properties: Many derivatives of nitrobenzoates have shown effectiveness against bacterial strains.
  • Antitumor Activity: Certain piperazine derivatives are known for their cytotoxic effects on cancer cell lines.
  • Neuropharmacological Effects: Compounds containing piperazine rings often interact with neurotransmitter systems, indicating potential use in treating neurological disorders.