(3-(Ethoxycarbonyl)phenyl)boronic acid

CAS: 4334-87-6

Ref. 3D-FE139912

Product Information

• Name: (3-(Ethoxycarbonyl)phenyl)boronic acid
• Synonyms: 3-(Ethoxycarbonyl)phenylboronic acid, 3-Borono-benzoic acid 1-ethyl ester, Akos Brn-0097, 3-Carbethoxy-Phenyl-Boronic Acid, 3-(Ethoxycarbonyl)Benzeneboronic Acid, Ethyl 3-Boronobenzoate, M-Ethoxycarbonylphenylboronic Acid
• CAS: 4334-87-6

Description

(3-(Ethoxycarbonyl)phenyl)boronic acid is a malonate compound that inhibits the integrase enzyme. It belongs to a class of compounds known as integrase inhibitors. This class of compounds has been shown to be effective against HIV-1 integrase and is being studied for the treatment of HIV-1 infection. The 3-(ethoxycarbonyl)phenylboronic acid is synthesised and analysed using x-ray crystallography, which reveals that it binds to the active site of the integrase enzyme. The conformation of this compound is also determined by x-ray crystallography, showing that it adopts an S configuration in its binding site with respect to the metal cations.

• Brand: Biosynth

Chemical properties

• Molecular weight: 193.99 g/mol
• Formula: C₉H₁₁BO₄
• Purity: Min. 95%
• InChI: InChI=1S/C9H11BO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6,12-13H,2H2,1H3
• InChI key: InChIKey=REHVCPNQQBDOJJ-UHFFFAOYSA-N
• SMILES: CCOC(=O)c1cccc(B(O)O)c1