2-amino-4-chloro-5-fluorobenzoic Acid

CAS: 108288-16-0

Ref. 3D-FA105163

Product Information

• Name: 2-amino-4-chloro-5-fluorobenzoic Acid

Description

2-Amino-4-chloro-5-fluorobenzoic Acid is a reactive molecule that has been synthetically created and validated for functionality. This molecule inhibits the enzyme hexokinase, which is important in the conversion of glucose to ATP. Hexokinases are found in trypanosomes and other organisms, including humans. 2-Amino-4-chloro-5-fluorobenzoic Acid has shown activity against human and yeast hexokinases, with an average inhibitory concentration of 0.1 micromolar and IC50 values of 1.7 micromolar for yeast hexokinase and 3.2 micromolar for human hexokinase. The selectivity index (SI) for this molecule was calculated to be 5.8 fold higher than that of glucose 6 phosphate dehydrogenase, which is a well known target enzyme in cancer chemotherapy research.

• Brand: Biosynth

Chemical properties

• Molecular weight: 189.57 g/mol
• Formula: C₇H₅ClFNO₂
• Purity: Min. 95%
• InChI: InChI=1S/C7H5ClFNO2/c8-4-2-6(10)3(7(11)12)1-5(4)9/h1-2H,10H2,(H,11,12)
• InChI key: InChIKey=NGCSJYVKMMNJIJ-UHFFFAOYSA-N
• SMILES: Nc1cc(Cl)c(F)cc1C(=O)O