151637
Isoxazole
99%
Synonym(s):
1,2-Oxazole, 1-Oxa-2-azacyclopentadiene, 2-Azafuran
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vapor density
2.4 (vs air)
assay
99%
form
liquid
refractive index
n20/D 1.427 (lit.)
bp
93-95 °C (lit.)
density
1.078 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
c1cnoc1
InChI
1S/C3H3NO/c1-2-4-5-3-1/h1-3H
InChI key
CTAPFRYPJLPFDF-UHFFFAOYSA-N
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General description
Isoxazole are described as inhibitors of acetylcholinesterase (AChE). Isoxazole ligands bind to and inhibit the Sxc- antiporter.
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The journal of physical chemistry. A, 125(1), 317-326 (2020-12-29)
Electron capture by the σ* LUMO of isoxazole triggers the dissociation of the O-N bond and the opening of the ring. Photodetachment of the resulting anion accesses a neutral structure, in which the O· and ·N bond fragments interact through
The Journal of pharmacy and pharmacology, 65(12), 1796-1804 (2013-11-05)
Inhibition of acetylcholinesterase (AChE) is a common treatment for early stages of Alzheimer's disease. In this study, nine isoxazoles derivatives were tested for their in-vitro AChE activity. The molecular docking showed the interaction of the compounds with the active site.
Bioorganic & medicinal chemistry letters, 23(21), 5931-5935 (2013-09-18)
Microwave accelerated reaction system (MARS) technology provided a good method to obtain selective and open isoxazole ligands that bind to and inhibit the Sxc- antiporter. The MARS provided numerous advantages, including: shorter time, better yield and higher purity of the
The journal of physical chemistry. A, 124(38), 7768-7775 (2020-08-28)
We report a photoelectron imaging study of gas-phase deprotonation of isoxazole in which spectroscopic data are compared to the results of electronic structure calculations for the anion products corresponding to each of three possible deprotonation sites. The observed photoelectron spectra
Nature chemical biology, 16(6), 686-694 (2020-03-24)
The broad-spectrum antibiotic D-cycloserine (DCS) is a key component of regimens used to treat multi- and extensively drug-resistant tuberculosis. DCS, a structural analog of D-alanine, binds to and inactivates two essential enzymes involved in peptidoglycan biosynthesis, alanine racemase (Alr) and
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