2-Amino-5-methylbenzoic acid ethyl ester

CAS: 58677-05-7

Ref. 3D-FA71948

Product Information

• Name: 2-Amino-5-methylbenzoic acid ethyl ester
• Synonyms: Ethyl 2-amino-5-methylbenzoate

Description

2-Amino-5-methylbenzoic acid ethyl ester is a hydrophobic inhibitor of dihydroorotate dehydrogenase that has been shown to be an effective and selective inhibitor of the enzyme in vitro. It has been validated by inhibition assay, and its pharmacophore has been elucidated using a database search. The hydrogen bond network between the inhibitor and the active site residues has also been identified. This compound is under investigation for possible use as a drug for various conditions including cancer, sickle cell disease, malaria, and Parkinson's disease.

• Brand: Biosynth

Chemical properties

• Molecular weight: 179.22 g/mol
• Formula: C₁₀H₁₃NO₂
• Purity: Min. 95%
• InChI: InChI=1S/C10H13NO2/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6H,3,11H2,1-2H3
• InChI key: InChIKey=OROMVXLWBWNXIW-UHFFFAOYSA-N
• SMILES: CCOC(=O)c1cc(C)ccc1N