In 2022,Jung, Garyn L.; McDaniel, Katherine L.; LoPachin, Richard M.; Geohagen, Brian C.; Smith, Alicia; Huffstickler, Mitchell; Herr, David W. published an article in NeuroToxicology. The title of the article was 《In vivo neurophysiological assessment of in silico predictions of neurotoxicity: Citronellal, 3,4-dichloro-1-butene, and benzyl bromoacetate》.Application In Synthesis of Benzyl 2-bromoacetate The author mentioned the following in the article:
Neurotoxicants may be widespread in the environment and can produce serious health impacts in the human population. Screening programs that use in vitro methods have generated data for thousands of chems. However, these methods often do not evaluate repeated or prolonged exposures, which are required for many neurotoxic outcomes. Addnl., the data produced by such screening methods may not include mechanisms which play critical biol. roles necessary for in vivo neurotoxicity. The Hard and Soft Acids and Bases (HSAB) in silico model focuses on chem. structure and electrophilic properties which are important to the formation of protein adducts. A group of structurally diverse chems. have been evaluated with an in silico screening approach incorporating HSAB parameters. However, the predictions from the expanded chem. space have not been evaluated using in vivo methods. Three chems. predicted to be cumulative toxicants were selected for in vivo neurotoxicol. testing. Adult male Long-Evans rats were treated orally with citronellal (CIT), 3,4-dichloro-1-butene (DCB), or benzyl bromoacetate (BBA) for 8 wk. Behavioral observations were recorded weekly to assess motor function. Peripheral neurophysiol. measurements were derived from nerve excitability (NE) tests which involved compound muscle action potentials (CMAPs) in the tail and foot, and mixed nerve action potentials (MNAPs) in the tail. Compound nerve action potentials (CNAPs) and nerve conduction velocity (NCV) in the tail were also quantified. Peripheral inputs into the central nervous system were examined using somatosensory evoked potentials recorded from the cortex (SEPCTX) and cerebellum (SEPCEREB). CIT or BBA did not result in significant alterations to peripheral nerve or somatosensory function. DCB reduced grip-strength and altered peripheral nerve function. The MNAPs required less current to reach 50% amplitude and had a lower calculated rheobase, suggesting increased excitability. Increased CNAP amplitudes and greater NCV were also observed Novel changes were found in the SEPCTX with an abnormal peak forming in the early portion of the waveforms of treated rats, and decreased latencies and increased amplitudes were observed in SEPCEREB recordings. These data contribute to testing an expanded chem. space from an in silico HSAB model for predicting cumulative neurotoxicity and may assist with prioritizing chems. to protect human health. In the experiment, the researchers used Benzyl 2-bromoacetate(cas: 5437-45-6Application In Synthesis of Benzyl 2-bromoacetate)
Benzyl 2-bromoacetate(cas: 5437-45-6) belongs to benzyl acetate. Benzyl acetate is an aromatic chemical, usually appearing as a clear liquid with a moderate sweet-jasmine fragrance. This compound appears as a component of some of our fragrance blends.Application In Synthesis of Benzyl 2-bromoacetate
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary