2,1,3-Benzoxadiazol-5-aMine, N-(3-chloro-5-fluorophenyl)-4-nitro- Chemical Properties

Boiling point:

430.2±55.0 °C(Predicted)

Density 

1.652±0.06 g/cm3(Predicted)

storage temp. 

room temp

solubility 

DMSO: soluble15mg/mL, clear

form 

Yellow powder

pka

-2.82±0.48(Predicted)

color 

white to beige

Stability:

Stable for 1 year from date of purchase as supplied. Solutions in DMSO or DMF may be stored at -20°C for up to 1 month.

InChI

1S/C12H6ClFN4O3/c13-6-3-7(14)5-8(4-6)15-10-2-1-9-11(17-21-16-9)12(10)18(19)20/h1-5,15H

InChIKey

CDQUJZKBRAFWNG-UHFFFAOYSA-N

SMILES

Fc1cc(cc(c1)Nc2c(c3n[o]nc3cc2)[N+](=O)[O-])Cl

Safety Information

Hazard Codes 

T

Risk Statements 

25

Safety Statements 

45

RIDADR 

UN 2811 6.1 / PGIII

WGK Germany 

3

Storage Class

11 - Combustible Solids

2,1,3-Benzoxadiazol-5-aMine, N-(3-chloro-5-fluorophenyl)-4-nitro- Usage And Synthesis

Description

HIF-2α-I2 (1422955-31-4) is a potent and selective HIF-2α inhibitor, Kd=81 nM.1Binds to the HIF-2α PAS-B domain2and interferes with Hif-2α / ARNT heterodimerization reducing target gene expression in a cellular model1. Highly selective for HIF-2α displaying a >60-fold selectivity over HIF-1α.1,2

Uses

N-(3-Chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine is a HIF-2α inhibitor which inhibits HIF-2α-ARNT heterodimerization by binding to HIF-2α PAS-B domain. It may be used in therapeutic treatment of HIF-2-driven tumors such as renal cell carcinomas.

storage

Store at RT

References

[1] THOMAS H SCHEUERMANN. Allosteric inhibition of hypoxia inducible factor-2 with small molecules[J]. Nature chemical biology, 2013, 9 4: 271-276. DOI:10.1038/nchembio.1185
[2] MATTEO MASETTI  Maurizio R  Federico Falchi. Protein dynamics of the HIF-2α PAS-B domain upon heterodimerization and ligand binding.[J]. PLoS ONE, 2014: e94986. DOI:10.1371/journal.pone.0094986
[3] JAMIE L. ROGERS. Development of Inhibitors of the PAS-B Domain of the HIF-2α Transcription Factor[J]. Journal of Medicinal Chemistry, 2013, 56 4: 1739-1747. DOI:10.1021/jm301847z

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