180691-65-0

Basic information

• Product Name: tert-butyl 3-(trifluoromethylsulfonyloxy)-5,6-dihydropyridine-1(2H)-carboxylate
• Synonyms: 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-[[(trifluoromethyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester
• CAS NO: 180691-65-0
• Molecular Formula: C₁₁H₁₆F₃NO₅S
• Molecular Weight: 331.306949
• Mol File: 180691-65-0.mol
• Article Data: 12

Chemical Properties

• CAS DataBase Reference: tert-butyl 3-(trifluoromethylsulfonyloxy)-5,6-dihydropyridine-1(2H)-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl 3-(trifluoromethylsulfonyloxy)-5,6-dihydropyridine-1(2H)-carboxylate(180691-65-0)
• EPA Substance Registry System: tert-butyl 3-(trifluoromethylsulfonyloxy)-5,6-dihydropyridine-1(2H)-carboxylate(180691-65-0)

Safety Data

• Hazardous Substances Data: 180691-65-0(Hazardous Substances Data)

Upstream product

• 98977-36-7 3-oxo-piperidine-1-carboxylic acid tert-butyl ester 
• 37595-74-7 N,N-phenylbistrifluoromethane-sulfonimide 
• 82113-65-3 bis(trifluoromethanesulfonyl)amide 

Downstream Products

• 885693-20-9 5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester 
• 1227611-57-5 5-{3-[(S)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-3,6-dihydro-2H-pyridine-1-carboxamide 
• 1227611-56-4 3-[(S)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridine 
• 1459168-08-1 C₁₆H₁₉F₂NO₂ 
• 1459168-09-2 C₁₆H₁₉F₂NO₃ 
• 1352655-02-7 tert-butyl 3-(1-benzyl-1H-pyrazol-4-yl)-5,6-dihydropyridine-1(2H)-carboxylate 

Relevant articles and documents

Triazolo[1,5-a]pyrimidine Phosphodiesterase 2A Inhibitors: Structure and Free-Energy Perturbation-Guided Exploration

We describe the hit-To-lead exploration of a [1,2,4]triazolo[1,5-A]pyrimidine phosphodiesterase 2A (PDE2A) inhibitor arising from high-Throughput screening. X-ray crystallography enabled structure-guided design, leading to the identification of preferred substructural components. Further rounds of optimization used relative binding free-energy calculations to prioritize different substituents from the large accessible chemical space. The free-energy perturbation (FEP) calculations were performed for 265 putative PDE2A inhibitors, and 100 compounds were synthesized representing a relatively large prospective application providing unexpectedly active molecules with IC50′s from 2340 to 0.89 nM. Lead compound 46 originating from the FEP calculations showed PDE2A inhibition IC50 of 1.3 ± 0.39 nM, a 100-fold selectivity versus other PDE enzymes, clean cytochrome P450 profile, in vivo target occupancy, and promise for further lead optimization.

ANTI-AMYLOID COMPOUNDS CONTAINING BENZOFURAZAN

In general, among other things, compounds of Formula I are provided: in which R11 is e.g., 4-(pyrrolidin-1-yl)piperidin-1-yl, N-methyl-3-(pyrrolidin-1-yl)propan-1-amino, N1,N1,N3-trimethylpropane-1,3-diamino, N,N-dimethylpiperidin-4-amino, 3-(pyrrolidin-1-ylmethyl)azetidin-1-yl, 3-(pyrrolidin-1-ylmethanon)azetidin-1-yl, or 3-(morpholin-1-ylmethyl)azetidin-1-yl; R13 is, e.g., phenyl optionally substituted with one or more substituents; and R12 and R14 are each independently hydrogen or alkyl. Methods of treatment are also provided.

Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease

The present invention relates to a compound having the general formula I, optionally in the form of a pharmaceutically acceptable salt, solvate, polymorph, prodrug, tautomer, racemate, enantiomer, or diastereomer or mixture thereof, which is useful in treating, ameliorating or preventing a viral disease. Furthermore, specific combination therapies are disclosed.