1245941-20-1

Basic information

• Product Name: (R,E)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-3-(4-(phenylsulfonyl)but-3-enylamino)propyl)-butanamide
• Synonyms: (R,E)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-3-(4-(phenylsulfonyl)but-3-enylamino)propyl)-butanamide
• CAS NO: 1245941-20-1
• Molecular Weight: 412.507
• Mol File: 1245941-20-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (R,E)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-3-(4-(phenylsulfonyl)but-3-enylamino)propyl)-butanamide(CAS DataBase Reference)
• NIST Chemistry Reference: (R,E)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-3-(4-(phenylsulfonyl)but-3-enylamino)propyl)-butanamide(1245941-20-1)
• EPA Substance Registry System: (R,E)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-3-(4-(phenylsulfonyl)but-3-enylamino)propyl)-butanamide(1245941-20-1)

Safety Data

• Hazardous Substances Data: 1245941-20-1(Hazardous Substances Data)

Upstream product

• 1256166-26-3 (E)-4-(phenylsulfonyl)but-3-en-1-amine hydrochloride 
• 137-08-6 calcium (R)-pantothenate 

Downstream Products

• 1245941-25-6 C₂₉H₄₂N₇O₁₈P₃S 

Relevant articles and documents

Michael acceptor-containing coenzyme a analogues as inhibitors of the atypical coenzyme a disulfide reductase from staphylococcus aureus

Coenzyme A (CoA) analogues containing α,β-unsaturated ester, ketone, and sulfone moieties were prepared by chemo-enzymatic synthesis as inhibitors of coenzyme A disulfide reductase (CoADR), a proven and as yet unexploited drug target in Staphylococcus aureus. Among these Michael acceptor-containing CoA analogues, which were designed to target CoADR's single essential active site cysteine for conjugate addition, a phenyl vinyl sulfone-containing analogue showed the most potent inhibition with a competitive Ki of ～40 nM, and time-dependent inactivation with a second-order rate of inactivation constant of ～40 000 s -1?M-1. Our results suggest that electrophilic substrate analogues should be considered as potential inhibitors of other medicinally relevant disulfide reductase enzymes.