structure of Ethyl 4,5-diaminopicolinate

Ethyl 4,5-diaminopicolinate

CAS No.: 1000783-11-8
M. Wt: 181.19200
M. Fa: C8H11N3O2
InChI Key: XFGYUNVIMSXNNA-UHFFFAOYSA-N

Names and Identifiers of Ethyl 4,5-diaminopicolinate

CAS Number

1000783-11-8

MDL Number

MFCD13181796

IUPAC Name

ethyl 4,5-diaminopyridine-2-carboxylate

InChI

InChI=1S/C8H11N3O2/c1-2-13-8(12)7-3-5(9)6(10)4-11-7/h3-4H,2,10H2,1H3,(H2,9,11)

InChIKey

XFGYUNVIMSXNNA-UHFFFAOYSA-N

Canonical SMILES

CCOC(=O)C1=NC=C(C(=C1)N)N

UNSPSC Code

12352100

Physical and chemical properties of Ethyl 4,5-diaminopicolinate

Acidity coefficient

5.42±0.10(Predicted)

Boiling Point

426.8±40.0 °C(Predicted)

Density

1.279

Exact Mass

181.08500

H Bond Acceptors

4

H Bond Donors

2

LogP

1.58510

Molecular Formula

C8H11N3O2

Molecular Weight

181.19200

PSA

91.23000

Storage condition

2-8°C

Safety Information of Ethyl 4,5-diaminopicolinate

Pictograms

Signal Word

 Warning

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

Applications of Ethyl 4,5-diaminopicolinate

Ethyl 4,5-diaminopicolinate has a range of applications across different fields:

  • Pharmaceuticals: Due to its biological activity, it is being explored as a lead compound for developing new antimicrobial agents.
  • Agriculture: Its potential as a biopesticide is under investigation, particularly for controlling plant pathogens.
  • Materials Science: The compound may serve as a building block in synthesizing novel polymers or materials with specific properties.

These applications underscore its significance in research and industry.

Interaction Studies of Ethyl 4,5-diaminopicolinate

Interaction studies involving Ethyl 4,5-diaminopicolinate focus on its binding affinity with various biological targets. Key findings include:

  • Protein Binding Studies: Investigating how the compound interacts with proteins can provide insights into its mechanism of action.
  • Drug Interaction Profiles: Understanding how this compound interacts with other drugs is crucial for assessing potential side effects and therapeutic efficacy.
  • Metabolic Pathways: Studies on how Ethyl 4,5-diaminopicolinate is metabolized in vivo can inform dosing regimens and safety profiles.

These studies are essential for advancing the compound's clinical applications.

Biological Activity of Ethyl 4,5-diaminopicolinate

Studies have indicated that Ethyl 4,5-diaminopicolinate possesses notable biological activities. It has been investigated for:

  • Antimicrobial Properties: Exhibiting activity against various bacterial strains, suggesting potential as an antimicrobial agent.
  • Antioxidant Activity: The compound may act as a scavenger of free radicals, contributing to its protective effects against oxidative stress.
  • Enzyme Inhibition: Preliminary studies suggest that it may inhibit certain enzymes, which could be relevant in therapeutic applications.

The specific mechanisms underlying these activities require further investigation to fully elucidate its pharmacological potential.