Abstract
| Original language | English |
|---|---|
| Pages (from-to) | 1241 - 1251 |
| Number of pages | 11 |
| Journal | Structural Chemistry |
| Volume | 24 |
| Issue number | 4 |
| DOIs | |
| Publication status | Published - 2013 |
Cite this
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Synthesis, molecular structure, NMR spectroscopic and computational analysis of a selective adenosine A2A antagonist, ZM 241385. / Jorg, Manuela; Agostino, Mark James; Yuriev, Elizabeth; Mak, Frankie S; Miller, Neil D; White, Jonathan; Scammells, Peter John; Capuano, Benvenuto.
In: Structural Chemistry, Vol. 24, No. 4, 2013, p. 1241 - 1251.Research output: Contribution to journal › Article › Research › peer-review
TY - JOUR
T1 - Synthesis, molecular structure, NMR spectroscopic and computational analysis of a selective adenosine A2A antagonist, ZM 241385
AU - Jorg, Manuela
AU - Agostino, Mark James
AU - Yuriev, Elizabeth
AU - Mak, Frankie S
AU - Miller, Neil D
AU - White, Jonathan
AU - Scammells, Peter John
AU - Capuano, Benvenuto
PY - 2013
Y1 - 2013
N2 - Herein, we describe the synthesis of the adenosine A(2A) antagonist ZM 241385 (9) starting from commercially available 2-furanhydrazide (1) and including a comprehensive structural characterization of all the intermediates and the final product. In addition, extensive NMR analysis, including temperature and concentration-dependent experiments, are reported as well as the first single-crystal structure of the compound ZM 241385 (9) as the trihydrate. Furthermore, an extensive structural comparison of the single-crystal structure with the published protein bound X-ray structures is reported.
AB - Herein, we describe the synthesis of the adenosine A(2A) antagonist ZM 241385 (9) starting from commercially available 2-furanhydrazide (1) and including a comprehensive structural characterization of all the intermediates and the final product. In addition, extensive NMR analysis, including temperature and concentration-dependent experiments, are reported as well as the first single-crystal structure of the compound ZM 241385 (9) as the trihydrate. Furthermore, an extensive structural comparison of the single-crystal structure with the published protein bound X-ray structures is reported.
UR - http://link.springer.com.ezproxy.lib.monash.edu.au/article/10.1007/s11224-012-0151-7
U2 - 10.1007/s11224-012-0151-7
DO - 10.1007/s11224-012-0151-7
M3 - Article
VL - 24
SP - 1241
EP - 1251
JO - Structural Chemistry
JF - Structural Chemistry
SN - 1040-0400
IS - 4
ER -