N -(6-Chloro-3-nitropyridin-2-yl)-5-(1-methyl-1 H -pyrazol-4-yl)isoquinolin-3-amine.

Autor:	Wydra, Valentin, Gerstenecker, Stefan, Schollmeyer, Dieter, Andreev, Stanislav, Dimitrov, Teodor, Massarico Serafim, Ricardo Augusto, Laufer, Stefan, Gehringer, Matthias, Aitken, R. Alan
Předmět:	MASS spectrometry INFRARED spectroscopy SINGLE crystals PROTEIN kinase inhibitors X-ray diffraction
Zdroj:	Molbank; Mar2021, Vol. 2021 Issue 1, pM1181, 1p
Abstrakt:	Here we describe the synthesis of N-(6-chloro-3-nitropyridin-2-yl)5-(1-methyl-1H-pyrazol-4-yl)isoquinolin-3-amine via a three-step procedure including a Buchwald–Hartwig arylamination with benzophenone imine and a highly regioselective nucleophilic aromatic substitution. The title compound was analyzed by nuclear magnetic resonance spectroscopy (1H, 13C, HSQC, HMBC, COSY, DEPT90 and NOESY), high resolution mass spectrometry (ESI-TOF-HRMS) and infrared spectroscopy (ATR-IR) and its structure was confirmed by single crystal X-ray diffraction. The inhibitory potency of the title compound was evaluated for selected kinases harboring a rare cysteine in the hinge region (MPS1, MAPKAPK2 and p70S6Kβ/S6K2). [ABSTRACT FROM AUTHOR]
Databáze:	Complementary Index
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