4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic acid

CAS: 1044598-91-5

Ref. 3D-FC20328

Product Information

• Name: 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic acid

Description

4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic acid (PCN) is an anti-inflammatory drug that belongs to the class of pyridones. It is a dimerization product of 2-(4-chlorophenyl)-5,5-dimethylcyclohexene and 4-[4-[2-(4-chlorophenyl)-5,5-dimethylcyclohexenyl]piperazinium]. PCN has been shown to be catalyzed by both dehydrative and cycloisomerase enzymes. The product of this reaction is 4-[2-(4-chlorophenyl)-5,5 dimethylcyclohexenyl]piperazine. This compound is then hydrolyzed by esterases to form the active form of PCN.

• Brand: Biosynth

Chemical properties

• Molecular weight: 438.99 g/mol
• Formula: C₂₆H₃₁ClN₂O₂
• Purity: Min. 95%
• Color/Form: Powder
• InChI: InChI=1S/C26H31ClN2O2/c1-26(2)12-11-24(19-3-7-22(27)8-4-19)21(17-26)18-28-13-15-29(16-14-28)23-9-5-20(6-10-23)25(30)31/h3-10H,11-18H2,1-2H3,(H,30,31)
• InChI key: InChIKey=JBZBOOYFIKNESP-UHFFFAOYSA-N
• SMILES: CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)O)cc3)CC2)C1