(3-Hydroxyphenyl)acetic acid methyl ester

CAS: 42058-59-3

Ref. 3D-FH70988

Product Information

• Name: (3-Hydroxyphenyl)acetic acid methyl ester
• Synonyms: Methyl 3-hydroxyphenylacetate
• Brand: Biosynth

Description

(3-Hydroxyphenyl)acetic acid methyl ester is an allosteric inhibitor of the serotonin transporter (SERT), which is a target enzyme for many drugs. It has inhibitory activity against 5-HT1A receptors, and other targets that have not yet been elucidated. This compound has been shown to react with coumarin derivatives to form reaction products. The molecular modelling of this drug shows that its uptake is inhibited by the presence of acids, such as hydrochloric acid, in the environment. The rate of reaction between (3-hydroxyphenyl)acetic acid methyl ester and serotonin has been determined experimentally using kinetic data. Molecular modeling predicts that this compound will bind tightly to the SERT protein via hydrogen bonding interactions with amino acids in the binding site.

Chemical properties

• Molecular weight: 166.17 g/mol
• Formula: C₉H₁₀O₃
• Purity: Min. 95%
• Color/Form: Colorless Powder
• InChI: InChI=1S/C9H10O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5,10H,6H2,1H3
• InChI key: InChIKey=AMDDOQIUPAINLH-UHFFFAOYSA-N
• SMILES: COC(=O)Cc1cccc(O)c1