50786-62-4Relevant articles and documents
THE STRUCTURES DIPOLE MOMENTS AND RELATIVE ENERGY OF THE CONFORMERS OF CYCLOBUTYL ACETYLENE BY MICROWAVE AND AB INITIO METHODS
Berry, Rajiv J.,Harmony, Marlin D.,Dakkouri, Marwan,Siam, Khamis,Schaefer, Lothar
, p. 11 - 24 (1988)
With the guidance of ab initio computations, the microwave spectra of axial and equatorial conformers of cyclobutyl acetylene have been identified and assigned.Dipole moment measurements yielded μa = 0.82(1) and μc = 0.09(2) D for the equatorial conformer and μa = 0.79(1) D and μ = 0.13(2) D for the axial conformer.Relative intesity measurements showed that the equatorial conformer was more stable by 282+/-35 cm-1.By combining ab initio results with the experimental rotational constants, the structures of the two conformers have been determined with a reliability and precision greater than possible from either method alone.
Difluorocyclobutylacetylenes as positive allosteric modulators of mGluR5 with reduced bioactivation potential
Degnan, Andrew P.,Maxwell, Darrell,Balakrishnan, Anand,Brown, Jeffrey M.,Easton, Amy,Gulianello, Michael,Hanumegowda, Umesh,Hill-Drzewi, Melissa,Miller, Regina,Santone, Kenneth S.,Senapati, Arun,Shields, Eric E.,Sivarao, Digavalli V.,Westphal, Ryan,Whiterock, Valerie J.,Zhuo, Xiaoliang,Bronson, Joanne J.,Macor, John E.
, p. 5871 - 5876 (2016/12/06)
Schizophrenia is a serious illness that affects millions of patients and has been associated with N-methyl-D-aspartate receptor (NMDAR) hypofunction. It has been demonstrated that activation of metabotropic glutamate receptor 5 (mGluR5) enhances NMDA receptor function, suggesting the potential utility of mGluR5 positive allosteric modulators (PAMs) in the treatment of schizophrenia. Herein we describe the optimization of an mGluR5 PAM by replacement of a phenyl with aliphatic heterocycles and carbocycles as a strategy to reduce bioactivation in a biaryl acetylene chemotype. Replacement with a difluorocyclobutane followed by further optimization culminated in the identification of compound 32, a low fold shift PAM with reduced bioactivation potential. Compound 32 demonstrated favorable brain uptake and robust efficacy in mouse novel object recognition (NOR) at low doses.
OXAZOLIDINONE HYDROXAMIC ACID COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS
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Page/Page column 187, (2015/05/19)
This invention pertains generally to treating bacterial infections using organic compounds of Formula I. In certain aspects, the invention pertains to treating infections caused by Gram-negative bacteria. (I) wherein X, Y, R1, R2, R3, R4 and R5 and defined herein.