structure of (1-(tert-Butoxycarbonyl)-6-fluoro-1H-indol-2-yl)boronic acid

(1-(tert-Butoxycarbonyl)-6-fluoro-1H-indol-2-yl)boronic acid

CAS No.: 1000068-26-7
M. Wt: 279.07200
M. Fa: C13H15BFNO4
InChI Key: GARRUKBUEWVRCV-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 1000068-26-7

CAS Number

1000068-26-7

MDL Number

MFCD09953519

IUPAC Name

[6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid

InChI

InChI=1S/C13H15BFNO4/c1-13(2,3)20-12(17)16-10-7-9(15)5-4-8(10)6-11(16)14(18)19/h4-7,18-19H,1-3H3

InChIKey

GARRUKBUEWVRCV-UHFFFAOYSA-N

Canonical SMILES

B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=C(C=C2)F)(O)O

UNSPSC Code

12352100

Physical and chemical properties of 1000068-26-7

Exact Mass

279.10800

LogP

1.24340

Molecular Formula

C13H15BFNO4

Molecular Weight

279.07200

PSA

71.69000

Storage condition

Sealed in dry,Store in freezer, under -20°C

Safety Information of 1000068-26-7

Pictograms

Signal Word

 Warning

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

Applications of 1000068-26-7

(1-(tert-Butoxycarbonyl)-6-fluoro-1H-indol-2-yl)boronic acid has potential applications in various fields:

  • Pharmaceutical Development: Due to its biological activity, it may serve as a lead compound in drug discovery efforts targeting cancer or metabolic diseases.
  • Chemical Research: Its unique structure makes it a valuable reagent in synthetic organic chemistry for developing new materials or compounds.

Interaction Studies of 1000068-26-7

Interaction studies involving (1-(tert-Butoxycarbonyl)-6-fluoro-1H-indol-2-yl)boronic acid focus on its binding affinity and interactions with biological targets. Techniques such as surface plasmon resonance and fluorescence spectroscopy can be employed to assess these interactions, providing insights into its mechanism of action and potential therapeutic effects.

Biological Activity of 1000068-26-7

The biological activity of (1-(tert-Butoxycarbonyl)-6-fluoro-1H-indol-2-yl)boronic acid is an area of ongoing research. Compounds containing boronic acids have been noted for their potential therapeutic applications, including:

  • Anticancer Activity: Boronic acids can inhibit proteasome activity, leading to apoptosis in cancer cells. Their ability to modulate cellular pathways makes them candidates for anticancer drug development.
  • Antidiabetic Properties: Some studies suggest that boronic acids may enhance insulin signaling or modulate glucose metabolism, indicating potential use in diabetes management.

Physical sample testing spectrum (NMR) of 1000068-26-7

Physical sample testing spectrum (NMR) of 1000068-26-7