Related Products of 627-18-9In 2020 ,《Toward less hazardous industrial compounds: Coupling quantum mechanical computations, biomarker responses, and behavioral profiles to identify bioactivity of SN2 electrophiles in alternative vertebrate models》 appeared in Chemical Research in Toxicology. The author of the article were Steele, W. Baylor; Kristofco, Lauren A.; Corrales, Jone; Saari, Gavin N.; Corcoran, Eric J.; Hill, Bridgett N.; Mills, Margaret G.; Gallagher, Evan; Kavanagh, Terrance J.; Melnikov, Fjodor; Zimmerman, Julie B.; Voutchkova-Kostal, Adelina; Anastas, Paul T.; Kostal, Jakub; Brooks, Bryan W.. The article conveys some information:
Sustainable mol. design of less hazardous chems. promises to reduce risks to public health and the environment. Computational chem. modeling coupled with alternative toxicol. models (e.g., larval fish) present unique high-throughput opportunities to understand structural characteristics eliciting adverse outcomes. Numerous environmental contaminants with reactive properties can elicit oxidative stress, an important toxicol. response associated with diverse adverse outcomes (i.e., cancer, diabetes, neurodegenerative disorders, etc.). We examined a common chem. mechanism (bimol. nucleophilic substitution (SN2)) associated with oxidative stress using property-based computational modeling coupled with acute (mortality) and sublethal (glutathione, photomotor behavior) responses in the zebrafish (Danio rerio) and the fathead minnow (Pimephales promelas) models to identify whether relationships exist among biol. responses and mol. attributes of industrial chems. Following standardized methods, embryonic zebrafish and larval fathead minnows were exposed sep. to eight different SN2 compounds for 96 h. Acute and sublethal responses were compared to computationally derived in silico chem. descriptors. Specifically, frontier MO energies were significantly related to acute LC50 values and photomotor response (PMR) no observed effect concentrations (NOECs) in both fathead minnow and zebrafish. This reactivity index, LC50 values, and PMR NOECs were also significantly related to whole body glutathione (GSH) levels, suggesting that acute and chronic toxicity results from protein adduct formation for SN2 electrophiles. Shared refractory locomotor response patterns among study compounds and two alternative vertebrate models appear informative of electrophilic properties associated with oxidative stress for SN2 chems. Electrophilic parameters derived from frontier MOs were predictive of exptl. in vivo acute and sublethal toxicity. These observations provide important implications for identifying and designing less hazardous industrial chems. with reduced potential to elicit oxidative stress through bimol. nucleophilic substitution. In addition to this study using 3-Bromopropan-1-ol, there are many other studies that have used 3-Bromopropan-1-ol(cas: 627-18-9Related Products of 627-18-9) was used in this study.
3-Bromopropan-1-ol(cas: 627-18-9) is used in the synthesis of fluorescent halide-sensitive quinolinium dyes, chiral, quaternary prolines through cyclization of quaternary amino acids and molten salt-polymers. It is utilized for the study of micellar media and in microemulsions based on cationic or a nonionic surfactant by reacting with phenols.Related Products of 627-18-9
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