Characterization of the binding site of the histamine H3 Receptor. 2. Synthesis, in vitro pharmacology, and QSAR of a series of monosubstituted benzyl analogues of thioperamide was written by Windhorst, Albert D.;Timmerman, Henk;Worthington, Edward A.;Bijloo, Greetje J.;Nederkoorn, Paul H. J.;Menge, Wiro M. P. B.;Leurs, Rob;Herscheid, Jacobus D. M.. And the article was included in Journal of Medicinal Chemistry in 2000.Safety of 4-Fluorobenzylisothiocyanate This article mentions the following:
The thioperamide analogs I (R = Cl, Br, F, H, Me3C) were prepared and evaluated for their histamine H3 receptor activity on the guinea pig jejunum. Incorporation of Cl, Br, and I at the ortho position of the benzyl moiety led to an increase of the pA2 value, whereas the same substituents at the para position led to a decrease. However, a fluorine substituent gave a strong decrease in pA2, regardless of the position. Mol. modeling revealed a QSAR with a correlation between the pA2 and the dihedral angle between the thiourea and the benzyl moiety and the calculated electron d. on the substituted carbon atom. To verify whether this QSAR model had a predictive value, the ortho tert-Bu and Me analogs were synthesized and evaluated. Indeed it was shown that the predicted pA2 values of these two compounds were in accordance with the measured pA2 values. In the experiment, the researchers used many compounds, for example, 4-Fluorobenzylisothiocyanate (cas: 2740-88-7Safety of 4-Fluorobenzylisothiocyanate).
4-Fluorobenzylisothiocyanate (cas: 2740-88-7) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Safety of 4-Fluorobenzylisothiocyanate
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics