120627-65-8Relevant academic research and scientific papers
Three-dimensional pharmacophore hypotheses of octopamine/tyramine agonists which inhibit [1-14C]acetate incorporation in Plodia interpunctella
Hirashima, Akinori,Eiraku, Tomohiko,Shigeta, Yoko,Kuwano, Eiichi
, p. 95 - 103 (2003)
Three-dimensional pharmacophore hypotheses were built from a set of 36 octopamine (OA)/tyramine (TA) agonists responsible for the inhibition of sex-pheromone production in Plodia interpunctella. Among the ten chemical-featured models generated by a program Catalyst/Hypo, hypotheses including hydrogen-bond acceptor (HBA), hydrogen-bond acceptor aliphatic (HBAl), hydrophobic (Hp), hydrophobic aromatic (HpAr) and hydrophobic aliphatic (HpAl) features were considered to be important and predictive in evaluating OA/TA agonists. Active agonists mapped well onto all the features of the hypothesis such as HBA, HBAl, Hp, HpAr and HpAl features. On the other hand, inactive compounds were shown to be poorly capable of achieving an energetically favorable conformation shared by the active molecules in order to fit the 3-D chemical-feature pharmacophore models. Those hypotheses are considered to be used in designing new leads for hopefully more active compounds. Further research on the comparison of models from the agonists may help elucidate the mechanisms of OA/TA receptor-ligand interactions.
A new and rapid access to homochiral 2,3-dihydro-oxazolo[2,3-b]quinazolin-5-ones
Gueyrard, David,Leoni, Onofrio,Palmieri, Sandro,Rollin, Patrick
, p. 337 - 340 (2007/10/03)
Starting from homochiral 1,3-oxazolidine-2-thiones 1, a two-step sequence led to homotopic 2,3-dihydro-oxazolo[2,3-b]quinazolin-5-one derivatives 3. The sequence was developed and studied regarding its scope and limitations.
Spectroscopic Identification of 3-Substituted 4-Methoxycarbonyl-1,3-thiazolidine (or -oxazolidine)-2-thiones and 2-Substituted Thio-4-methoxycarbonyl-Δ2-1,3-thiazolines (or -oxazolines)
Nagao, Yoshimitsu,Inoue, Keiko,Yamaki, Masae,Shiro, Motoo,Takagi, Shuzo,Fujita, Eiichi
, p. 4293 - 4300 (2007/10/02)
rac-4-Methoxycarbonyl-Δ2-1,3-thiazoline 2a-z and rac-4-methoxycarbonyl-1,3-thiazoline-2-thiones 3a,d-t were examined by carbon-13 and proton nuclear magnetic resonance and ultraviolet spectroscopic methods to provide a basis for spectroscopic i
