2-chloro-4-iodopyrimidine Chemical Properties

Melting point:

111.3-112.4 °C

Boiling point:

317.8±15.0 °C(Predicted)

Density 

2.187±0.06 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2–8 °C

pka

-2.88±0.20(Predicted)

InChI

InChI=1S/C4H2ClIN2/c5-4-7-2-1-3(6)8-4/h1-2H

InChIKey

LOPQDJJEZFCJMU-UHFFFAOYSA-N

SMILES

C1(Cl)=NC=CC(I)=N1

2-chloro-4-iodopyrimidine Usage And Synthesis

Description

2-Chloro-4-iodopyrimidine is an inhibitor of protein kinases. It binds to the ATP site of a kinase and inhibits its activity by forming a covalent bond with the serine or threonine residue of the active site. 2-Chloro-4-iodopyrimidine has been shown to inhibit tumor cell proliferation and induce apoptosis in vitro and in vivo. This compound has been shown to inhibit the activity of family kinases, including those involved in tumor growth and angiogenesis.

Preparation

The raw material and cuprous iodide are homogeneously mixed in acetonitrile. Add tert-butyl nitroso ester at -2 °C and stir for 5 min to heat the reaction to 73 °C. After 3h of the reaction, the raw material reaction was completed by TLC detection, cooled to room temperature, and water and saturated sodium carbonate solution were added to the reaction. Finally, the product is purified to obtain the product