structure of 2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde

2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde

CAS No.: 1001353-82-7
M. Wt: 216.02400
M. Fa: C7H3Cl2N3O
InChI Key: BPZJNMLBWODZEC-UHFFFAOYSA-N

Names and Identifiers of 1001353-82-7

CAS Number

1001353-82-7

MDL Number

MFCD26520677

IUPAC Name

2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde

InChI

InChI=1S/C7H3Cl2N3O/c8-6-5-2-1-4(3-13)12(5)11-7(9)10-6/h1-3H

InChIKey

BPZJNMLBWODZEC-UHFFFAOYSA-N

Canonical SMILES

C1=C(N2C(=C1)C(=NC(=N2)Cl)Cl)C=O

UNSPSC Code

12352100

Physical and chemical properties of 1001353-82-7

Acidity coefficient

-7.18±0.30(Predicted)

Density

1.73±0.1 g/cm3(Predicted)

Exact Mass

214.96500

H Bond Acceptors

3

H Bond Donors

0

LogP

1.84860

Molecular Formula

C7H3Cl2N3O

Molecular Weight

216.02400

PSA

47.26000

Safety Information of 1001353-82-7

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 1001353-82-7

The applications of 2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde span various fields:

  • Pharmaceuticals: Its potential as a kinase inhibitor positions it as a candidate for cancer therapy.
  • Material Science: Due to its unique electronic properties, it may find applications in developing organic semiconductors or dyes.
  • Agriculture: Compounds with similar structures have been explored for use as herbicides or fungicides .

Interaction Studies of 1001353-82-7

Interaction studies involving 2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde focus on its binding affinity to various biological targets. Preliminary studies suggest that it may exhibit interactions with key enzymes involved in cell signaling pathways relevant to cancer progression. Molecular docking studies can provide insights into its binding modes and affinities for specific kinases .

Biological Activity of 1001353-82-7

Research indicates that compounds containing the pyrrolo[2,1-f][1,2,4]triazine scaffold exhibit significant biological activities, particularly as kinase inhibitors. For instance, derivatives of this compound have shown potential in targeting vascular endothelial growth factor receptor 2 and epidermal growth factor receptor kinases. The unique structure of 2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde may enhance its potency and selectivity against specific cancer-related targets .

Retrosynthesis analysis of 1001353-82-7

  • Route#1

    Cas:918538-04-2
    Cas:1001353-82-7
  • Route#2

    Cas:159326-69-9
    Cas:1001353-82-7