4-(2-Oxopyrrolidin-1-yl)benzoic acid

CAS: 36151-44-7

Ref. 3D-FO122945

Product Information

• Name: 4-(2-Oxopyrrolidin-1-yl)benzoic acid
• Synonyms: benzoic acid, 4-(2-oxo-1-pyrrolidinyl)-
• Brand: Biosynth

Description

4-(2-Oxopyrrolidin-1-yl)benzoic acid (4-OPBA) is a hydrogen bonding inhibitor that is used to study the interactions of cavity proteins. It has shown to interact with glutathione and prostaglandin D2, which are important for hematopoietic and inflammatory responses. 4-OPBA has been observed to bind with a water molecule in the cavity, which may explain its affinity for these molecular targets. The crystal structure of 4-OPBA shows that it forms an interaction with two water molecules and one other molecule in the cavity. This may be due to its ability to form hydrogen bonds with both water molecules as well as the molecule in the cavity.

Chemical properties

• Molecular weight: 205.21 g/mol
• Formula: C₁₁H₁₁NO₃
• Purity: Min. 95%
• InChI: InChI=1S/C11H11NO3/c13-10-2-1-7-12(10)9-5-3-8(4-6-9)11(14)15/h3-6H,1-2,7H2,(H,14,15)
• InChI key: InChIKey=YDKWTEYRNMUJKC-UHFFFAOYSA-N
• SMILES: O=C(O)c1ccc(N2CCCC2=O)cc1