13297-18-2Relevant articles and documents
Synthesis of new quinoxaline-2-carboxylate 1,4-dioxide derivatives as anti-Mycobacterium tuberculosis agents
Jaso, Andrés,Zarranz, Belén,Aldana, Ignacio,Monge, Antonio
, p. 2019 - 2025 (2005)
Twenty-nine new 6(7)-substituted quinoxaline-2-carboxylate 1,4-dioxide derivatives were synthesized and evaluated for in vitro antituberculosis activity. In general, the in vitro activity is significantly affected by substituents on the quinoxaline nucleu
SYNTHESIS, CRYSTAL AND MOLECULAR STRUCTURES OF 2-METHYL-3-CARBOETHOXYQUINOXALINE 1,4-DIOXIDE
Lin, Shu-Kun,Cong, Qiu-Zhi
, p. 279 - 286 (1987)
2-Methyl-3-carboethoxyquinoxaline 1,4-dioxide (MCQO) was prepered and single crystals were grown out of the reaction mixture.The structure of MCQO was established by single-crystal X-ray crystallography using a direct method.The crystals are triclinic, space group P, with a = 6.928(1), b = 8.109(1), c = 10.552(1) angstroem, α = 83.445(8), β = 85.681(10), γ = 79.168(8) deg, V = 577.7 angstroem3, Z = 2 and Dc = 1.428 g cm-3.The structure was refined to R = 0.059 for 1454 reflections.The planar geometry of the parent quinoxaline ring is consistent with the aromaticity of the condensed heterocyclic system in the compound.The average N-O bond length is 1.297(5) angstroem, indicating a certain double-bond character.The X-ray analysis corroborates IR, NMR, and ESR spectroscopic evidence for the structure of this type of heteroaromatic N-oxides.
Combining metabolite-based pharmacophores with Bayesian machine learning models for mycobacterium tuberculosis drug discovery
Ekins, Sean,Madrid, Peter B.,Sarker, Malabika,Li, Shao-Gang,Mittal, Nisha,Kumar, Pradeep,Wang, Xin,Stratton, Thomas P.,Zimmerman, Matthew,Talcott, Carolyn,Bourbon, Pauline,Travers, Mike,Yadav, Maneesh,Freundlich, Joel S.
, (2015/12/26)
Integrated computational approaches for Mycobacterium tuberculosis (Mtb) are useful to identify new molecules that could lead to future tuberculosis (TB) drugs. Our approach uses information derived from the TBCyc pathway and genome database, the Collabor
Synthesis, trypanocidal activity and docking studies of novel quinoxaline-N-acylhydrazones, designed as cruzain inhibitors candidates
Romeiro, Nelilma C.,Aguirre, Gabriela,Hernandez, Paola,Gonzalez, Mercedes,Cerecetto, Hugo,Aldana, Ignacio,Perez-Silanes, Silvia,Monge, Antonio,Barreiro, Eliezer J.,Lima, Lidia M.
experimental part, p. 641 - 652 (2009/08/07)
In this paper, we report the structural design, synthesis, trypanocidal activity and docking studies of novel quinoxaline-N-acylhydrazone (NAH) derivatives, planned as cruzain inhibitors candidates, a cysteine protease essential for the survival of Trypan
