Synthesis and molecular docking of new roflumilast analogues as preferential-selective potent PDE-4B inhibitors with improved pharmacokinetic profile was written by Moussa, Bahia A.;El-Zaher, Asmaa A.;El-Ashrey, Mohamed K.;Fouad, Marwa A.. And the article was included in European Journal of Medicinal Chemistry in 2018.Related Products of 6294-52-6 This article mentions the following:
In the present work, a new series of 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-(benzo[d]thiazolyl)benzamides I [R = 1,3-benzothiazol-2-yl, 1,3-benzothiazol-6-yl, 6-F-1,3-benzothiazol-2-yl, etc.] and N-(thiazol-2-yl)benzamide I [R = thiazol-2-yl] was designed and synthesized via coupling reaction of 3-cyclopropylmethoxy-4-difluoromethoxybenzoic acid with aminobenzothiazoles/2-aminothiazole. These new roflumilast analogs I showed preferential-selective PDE-4B inhibition activity and improved pharmacokinetic properties. The unsubstituted benzo[d]thiazolyl-benzamide derivatives I [R = 1,3-benzothiazol-2-yl, 1,3-benzothiazol-6-yl] showed both good potency and preferential selectivity for PDE-4B and compound I [R = 2-sulfanyl-1,3-benzothiazol-6-yl] revealed six times preferential PDE-4B/4D selectivity with a significant increase of in vitro cAMP and good % inhibition of TNF-α concentration In addition, the in vitro pharmacokinetics of compound I [R = 2-sulfanyl-1,3-benzothiazol-6-yl] showed good metabolic stability with in vitro CLint (5.67 mL/min/kg) and moderate % plasma protein binding (53.71%). Mol. docking of compound I [R = 2-sulfanyl-1,3-benzothiazol-6-yl] attributed its good activity to its key binding interactions in PDE-4B active site with addnl. hydrogen bonding with amino acids lining the metal pocket. In the experiment, the researchers used many compounds, for example, 5,6-Dimethoxybenzo[d]thiazol-2-amine (cas: 6294-52-6Related Products of 6294-52-6).
5,6-Dimethoxybenzo[d]thiazol-2-amine (cas: 6294-52-6) belongs to thiazole derivatives. Thiazoles are a class of five-membered rings containing nitrogen and sulfur with excellent antitumor, antiviral and antibiotic activities. Thiazole sulfonation occurs only under forcing conditions: the action of oleum at 250 °C for 3 hours in the presence of mercury(II) sulfate leads to 65% formation of 5-thiazole sulfonic acid.Related Products of 6294-52-6
Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica