41220-29-5Relevant academic research and scientific papers
Charge assisted assembly of zwitterionic pyridone hydrates
Ma?ulovi?, Aleksandra D.,La?arevi?, Jelena M.,Radovanovi?, Lidija D.,Vitnik, ?eljko J.,Vitnik, Vesna D.,Rogan, Jelena R.,Mijin, Du?an ?.
, (2021)
Two pyridone derivatives, bearing the pyridinium moiety (1), or dimethylpyridinium moiety (2), have been synthesized and their crystal structures have been determined. The compounds crystalize in hydrated zwitterionic forms with either two (1·2H2O) or four (2·4H2O) water molecules. The zwitterionic networks contain different types of water clusters, generated into channels, incorporating them into the network by sandwiching. The type of channel depends on the crystal lattice and the nature of non-covalent interactions established between zwitterions as well as the number of water molecules incorporated into the architecture. 1 affords tubes filled in with water channels formed by water tetramers, contrary to 2, which affords a layered network altering the zwitterionic layer and the layer formed by water tetramers and hexamers. A detailed study of intermolecular interactions of both crystal structures and a quantification of interaction energies has been performed using PIXEL lattice energy calculations, giving an insight to a quantitative evaluation of interactions through Coulombic, disperse, repulsion and polarization energies. The strongest pairwise, in both structures, is found to be a dipole–dipole interaction between oppositely charged heterocyclic rings. The differences in the crystal packings of these hydrates have been elucidated by the fingerplot analysis. The comparative studies between experimental and calculated (DFT) data of molecules 1·H2O and 2·4H2O for systems of different complexity are performed. Furthermore, correlations of experimental and calculated bond lengths and the simulation of compound solvation with the CPCM model are done.
Effective Synthesis of 3,4-Diaryl-isoxazole-5-carboxamides and their Antiproliferative Properties
Maksimenko, Anna S.,Kislyi, Victor P.,Chernysheva, Natalia B.,Strelenko, Yuri A.,Zubavichus, Yan V.,Khrustalev, Victor N.,Semenova, Marina N.,Semenov, Victor V.
, p. 4260 - 4270 (2019/07/12)
A simple scalable procedure for the synthesis of 3,4-diaryl-isoxazole-5-carboxamides 6 under mild conditions from readily available material was developed. The targeted compounds 6, structural analogues of heat shock protein inhibitors, were obtained by the rearrangement of intermediate 3,4-diaryl-5-carboxamido-isoxazoline N-oxides 5. In contrast to carboxamido-isoxazoline oxides 5, base-catalyzed recyclization of 3,4-diaryl-5-(ethoxycarbonyl)isoxazoline N-oxides 9c unexpectedly yielded 5-hydroxy-1,2-oxazin-6-ones 17c instead of ethyl 3,4-diaryl-isoxazole-5-carboxylates 10. Crystal and molecular structure of 4-(2,5-dimethoxy-3,4-methylenedioxyphenyl)-5-hydroxy-3-phenyl-6H-1,2-oxazin-6-one 17c was established by single-crystal X-ray diffraction study. In a phenotypic sea urchin embryo assay, carboxamide 6f showed moderate antimitotic antitubulin activity compared to 5-unsubstituted 3,4-diarylisoxazoles 15, which featured strong microtubule destabilizing effect.
QUINOLINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS
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Paragraph 0144-0145, (2019/12/25)
Disclosed are imidazole compounds, as well as pharmaceutical compositions and methods of use thereof. One embodiment is a compound having the structure (I) and pharmaceutically acceptable salts, prodrugs and N-oxides thereof (and solvates and hydrates thereof), wherein R1, X, Y1, Y2, Y3 and Z are as described herein. In certain embodiments, a compound disclosed herein inhibits a cellular TAM receptor, and can be used to treat disease mediated by or involving the TAM receptor family.
An improved and efficient synthesis of pinene based bipyridyldiols and bipyridine
Boobalan, Ramalingam,Chen, Chinpiao
supporting information, p. 1930 - 1934 (2016/04/19)
An improved and efficient synthesis of pinene based two bipyridyldiols and bipyridine is reported. For the first time, the sealed tube-pressure reaction of pinene based pyridone with phosphoryl chloride produced an excellent yield (95%) of pinene based 2-chloropyridine, which renders synthesizing pinene based bipyridyldiols a highly inexpensive and high yielding process. Moreover, highly effective reaction condition was developed for homocoupling of chloropyridine with Ni(0) that afforded pinene based bipyridine in a high yield (84%). These newly demonstrated sealed tube-pressure chlorination and homocoupling reaction of chloropyridine afford extremely effect route for the synthesis of pinene based bipyridine.
SUBSTITUTED PYRIMIDINE COMPOUNDS AS mPGES-1 INHIBITORS
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Page/Page column 52; 53, (2015/05/06)
The present disclosure is directed to substituted pyrimidine compounds of formula (I), and pharmaceutically acceptable salts thereof, as mPGES-1 inhibitors. These compounds are inhibitors of the microsomal prostaglandin E synthase-1 (mPGES-1) enzyme and a
BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS
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Page/Page column 43, (2010/04/03)
Bridged bicyclic heteroaryl substituted triazoles and pharmaceutical compositions containing the compounds are disclosed as being useful in inhibiting the activity of the receptor protein tyrosine kinase AxI. Methods of using the compounds in treating diseases or conditions associated with AxI activity are also disclosed
A new approach to imidazo[1,2-a]pyridine derivatives and their application to the synthses of novel 2H-pyrano[2',3':4,5] imidazo[1,2-a]pyridin-2-one derivatives
Abe, Takashi,Okumura, Yukihisa,Suga, Hiroyuki,Kakehi, Akikazu
experimental part, p. 439 - 454 (2010/04/29)
3-[Bis(methylthio)methylene]-2(3H)-imidazo[1,2-a]pyridinones were prepared from the S-alkylation of pyridinium 1-[1-carbamoyl-1-[(methylthio) thiocarbonyl]]methylides with methyl iodide followed by the alkaline treatment of the resulting pyridinium salts.
POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS
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Page/Page column 49; 51-52, (2009/05/29)
Polycyclic aryl and polycyclic heteroaryl substituted triazoles and pharmaceutical compositions containing the compounds are disclosed as being useful in inhibiting the activity of the receptor protein tyrosine kinase Axl. Methods of using the compounds in treating diseases or conditions associated with Axl catalytic activity are also disclosed.
BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS
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Page/Page column 129; 131, (2008/12/07)
Bridged bicyclic aryl or heteroaryl substituted triazoles and pharmaceutical compositions containing the compounds are disclosed as being useful in inhibiting the activity of the receptor protein tyrosine kinase Axl. Methods of using the compounds in treating diseases or conditions associated with Axl activity are also disclosed.
Process for preparation of pyridine derivatives of NK-1 receptor antagonist
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Page/Page column 11, (2010/02/15)
The present invention provides a process for preparing a pyridine compound of the formula: wherein R1, R2, R3 and a are those defined herein.
