300553-65-5

Basic information

• Product Name: Butyric acid (S)-1-[4-((2S,6R)-4-benzyl-2,6-dimethyl-piperazin-1-yl)-pyrimidin-2-yl]-ethyl ester
• CAS NO: 300553-65-5
• Molecular Weight: 396.533
• Mol File: 300553-65-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Butyric acid (S)-1-[4-((2S,6R)-4-benzyl-2,6-dimethyl-piperazin-1-yl)-pyrimidin-2-yl]-ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Butyric acid (S)-1-[4-((2S,6R)-4-benzyl-2,6-dimethyl-piperazin-1-yl)-pyrimidin-2-yl]-ethyl ester(300553-65-5)
• EPA Substance Registry System: Butyric acid (S)-1-[4-((2S,6R)-4-benzyl-2,6-dimethyl-piperazin-1-yl)-pyrimidin-2-yl]-ethyl ester(300553-65-5)

Safety Data

• Hazardous Substances Data: 300553-65-5(Hazardous Substances Data)

Upstream product

• 55115-99-6 (3R,5S)-1-benzyl-3,5-dimethylpiperazine 
• 300553-71-3 (R)-1-(4-trifluoromethanesulfonyloxy-pyrimidin-2-yl)-ethyl butyrate 

Relevant articles and documents

SAR and species/stereo-selective metabolism of the sorbitol dehydrogenase inhibitor, CP-470,711.

SAR studies on the stereoisomers of CP-470,711 suggested that in vivo epimerization was taking place in rats. Further metabolism studies revealed that no epimerization was occurring in dogs, and that no epimerization was expected in humans. A mechanism for the in vivo epimerization is proposed involving an oxidation-reduction pathway of the secondary benzylic alcohol, in contrast to an acid/base-promoted epimerization of the same center during chemical synthesis.