Aknin, Karen; Bontemps, Alexis; Farce, Amaury; Merlet, Eric; Belmont, Philippe; Helissey, Philippe; Chavatte, Philippe; Sari, Marie-Agnes; Giorgi-Renault, Sylviane; Desbene-Finck, Stephanie published the article 《Polycyclic nitrogen heterocycles as potential thymidine phosphorylase inhibitors: synthesis, biological evaluation, and molecular docking study》. Keywords: pyrimidoquinolinedione preparation thymidine phosphorylase inhibitor SAR mol docking; dioxopyrimidinylalkyl pyrroloquinolinedione preparation thymidine phosphorylase inhibitor SAR mol docking; pyrrolopyridopyrimidinetetraone preparation thymidine phosphorylase inhibitor SAR mol docking; Thymidine phosphorylase inhibitor; molecular docking; multicomponent reactions; pyrido[2,3-d]pyrimidinedione; pyrimido[4,5-b]quinoline-2,4-dione.They researched the compound: 1,4-Dibromobutane( cas:110-52-1 ).Synthetic Route of C4H8Br2. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:110-52-1) here.
New polycyclic heterocycles I [R1 = H, Me, 3,4,5-trimethoxyphenyl; R2 = 7-Me, 8-methoxy, 8-phenoxy, etc.], II [n = 4, 6; R3 = Br, methyl], III [R4 = H, Cl, Br, etc.], IV [n = 1, 2; R5 = cyclohexyl, Ph, 3-pyridinyl, etc.] were synthesized and evaluated as potential inhibitors of thymidine phosphorylase (TP). Inspired by the pharmacophoric pyrimidinedione core of the natural substrate, four series were designed in order to interact with large empty pockets of the active site: pyrimidoquinoline-2,4-diones (I), pyrimidinedione linked to a pyrroloquinoline-1,3-diones (II and III), the polycyclic heterocycle were replaced by a pyrimidopyridopyrrolidinetetraone (IV). In each series, the tricyclic nitrogen heterocyclic moiety were synthesized by a one-pot multicomponent reaction. Compared to 7-deazaxanthine used as control I [8-methoxy, 8-chloro, 5-methyl-8-methoxy], II [n = 1; R5 = phenyl] , and the open intermediate V showed modest to good activities. A kinetic study confirmed that the most active compounds I [8-methoxy, 5-methyl-8-methoxy] were competitive inhibitors. Mol. docking anal. confirmed the interaction of these new compounds I, II, III, IV, V at the active binding site of TP and highlighted a plausible specific interaction in a pocket that had not yet been explored.
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Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles