Curreli, Francesca; Ahmed, Shahad; Benedict Victor, Sofia M.; Iusupov, Ildar R.; Belov, Dmitry S.; Markov, Pavel O.; Kurkin, Alexander V.; Altieri, Andrea; Debnath, Asim K. published the artcile< Preclinical optimization of gp120 entry-antagonists as anti-HIV-1 agents with improved cytotoxicity and ADME properties through rational design, synthesis, and antiviral evaluation>, Formula: C4H3NOS, the main research area is pyrrolecarboxamide aryl heteroaryl thiazolyl aminoalkyl preparation antiHIV pharmacokinetics cytotoxicity.
To optimize the structure of previously reported HIV-1 gp120 antagonist NBD-14189 which showed antiviral activity against HIV-1HXB2 (IC50 = 89 nM) but had high cytotoxicity and poor aqueous solubility, a series of novel azaarenyl analogs I [R1 = H, HOCH2, HOCH2CHOH, etc.; R2 = H, HOCH2, HOCH2CHOH; R3, R4, R5 = R6 = H, Me; R7 = 5-chloro-2-pyridinyl, 6-trifluoromethyl-3-pyridazinyl, 5-chloro-2-pyrimidinyl, etc.] have been synthesized and evaluated. One of the new analogs, the compound (S)-I [R1 = H; R2 = HOCH2; R3 = R4 = R5 = H; R6 = Me; R7 = 5-trifluoromethyl-2-pyridinyl; NBD-14270] showed a marked improvement in cytotoxicity, with a 3-fold and 58-fold improvements in SI values compared with that of NBD-14189 and NBD-11021, resp. Furthermore, the in-vitro ADME data clearly showed improvements in aqueous solubility and other properties compared with those for NBD-14189.
Journal of Medicinal Chemistry published new progress about Anti-HIV agents. 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, Formula: C4H3NOS.
Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica