structure of 7-(tert-Butoxycarbonyl)-3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid

7-(tert-Butoxycarbonyl)-3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid

CAS No.: 1000576-71-5
M. Wt: 346.17700
M. Fa: C12H16BrN3O4
InChI Key: HBAHRFFATYWHKS-UHFFFAOYSA-N

Names and Identifiers of 1000576-71-5

CAS Number

1000576-71-5

EC Number

871-638-2

MDL Number

MFCD09878581

IUPAC Name

3-bromo-7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid

InChI

InChI=1S/C12H16BrN3O4/c1-12(2,3)20-11(19)15-4-5-16-7(6-15)14-8(9(16)13)10(17)18/h4-6H2,1-3H3,(H,17,18)

InChIKey

HBAHRFFATYWHKS-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)N1CCN2C(=NC(=C2Br)C(=O)O)C1

UNSPSC Code

12352100

Physical and chemical properties of 1000576-71-5

Acidity coefficient

0.28±0.20(Predicted)

Boiling Point

533.7±50.0 °C(Predicted)

Density

1.65±0.1 g/cm3(Predicted)

Exact Mass

345.03200

H Bond Acceptors

4

H Bond Donors

1

LogP

2.03240

Molecular Formula

C12H16BrN3O4

Molecular Weight

346.17700

PSA

84.66000

Safety Information of 1000576-71-5

Pictograms

Signal Word

 Warning

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

Applications of 1000576-71-5

The applications of 7-(tert-butoxycarbonyl)-3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid are primarily in medicinal chemistry:

  • Drug Development: Its structural characteristics make it a candidate for developing new therapeutic agents targeting cancer or infectious diseases.
  • Chemical Probes: It can serve as a chemical probe in biological studies to investigate cellular mechanisms.

The versatility of this compound allows for exploration in various fields within pharmaceutical research.

Interaction Studies of 1000576-71-5

Interaction studies involving this compound focus on its binding affinity to biological targets such as enzymes or receptors. Preliminary data suggest that similar compounds can interact with:

  • Kinases: Inhibiting certain kinases involved in cancer progression.
  • Receptors: Modulating receptor activity linked to various physiological responses.

These interactions are crucial for understanding the compound's potential therapeutic roles and guiding future research directions.