64479-79-4Relevant articles and documents
Selective gelation of N-(4-pyridyl)nicotinamide by copper(II) salts
Ghosh, Dipankar,Lebedyte, Ieva,Yufit, Dmitry S.,Damodaran, Krishna K.,Steed, Jonathan W.
, p. 8130 - 8138 (2015)
We report the selective gelation properties of the copper(ii) complexes of N-(4-pyridyl)nicotinamide (4PNA). The morphology of the xerogels was examined by scanning electron microscopy (SEM). The correlation between the X-ray powder diffraction (XRPD) pattern of the xerogels and the single crystal structure of the copper(ii) acetate complex suggests that the single crystal X-ray data represent a good structural model for the gel fibers, and that gelation arises from the presence of a 1D hydrogen-bonded chain between gelator amide groups and coordinated anions, while the presence of strongly bound water in non-gelator systems results in the formation of more extensively hydrogen-bonded crystalline networks. The selective gelation of all the copper(ii) salts compared to the other metal salts may be attributed to the Jahn-Teller distorted nature of copper(ii), which weakens water binding in all copper(ii) salts.
Practical preparation of challenging amides from non-nucleophilic amines and esters under flow conditions
Vrijdag, Johannes L.,Delgado, Francisca,Alonso, Nerea,De Borggraeve, Wim M.,Prez-Macias, Natalia,Alczar, Jesus
supporting information, p. 15094 - 15097 (2014/12/11)
A fast and efficient protocol for the formation of amides from low nucleophilic amines and esters in flow is described. Products were obtained in good to excellent yields and with the advantage of simultaneous mixing of all reagents at once, avoiding steps for intermediate formation. The protocol is also suitable to be combined with ester synthesis, resulting in the preparation of amides in-line from haloarenes. This journal is
Fragment-based and structure-guided discovery and optimization of Rho kinase inhibitors
Li, Rongshi,Martin, Mathew P.,Liu, Yan,Wang, Binglin,Patel, Ronil A.,Zhu, Jin-Yi,Sun, Nan,Pireddu, Roberta,Lawrence, Nicholas J.,Li, Jiannong,Haura, Eric B.,Sung, Shen-Shu,Guida, Wayne C.,Schonbrunn, Ernst,Sebti, Said M.
supporting information; experimental part, p. 2474 - 2478 (2012/05/20)
Using high concentration biochemical assays and fragment-based screening assisted by structure-guided design, we discovered a novel class of Rho-kinase inhibitors. Compound 18 was equipotent for ROCK1 (IC50 = 650 nM) and ROCK2 (IC50 = 670 nM), whereas compound 24 was more selective for ROCK2 (IC50 = 100 nM) over ROCK1 (IC50 = 1690 nM). The crystal structure of the compound 18-ROCK1 complex revealed that 18 is a type 1 inhibitor that binds the hinge region in the ATP binding site. Compounds 18 and 24 inhibited potently the phosphorylation of the ROCK substrate MLC2 in intact human breast cancer cells.
