Ethyl 5-Oxo-5-(((12-oxoindolo[2,1-b]quinazolin-6(12H)-ylidene)amino)oxy)pentanoate
Round 1
Reviewer 1 Report
In this manuscript, Khlebnikov and co-workers describe the synthesis, characterisation and theoretical evaluation of title compound 2. The following corrections are required before publication of the article:
· Line 17-18: Compound 2 (…) has perspectives to be used for (the) treatment of neuroinflammation and ischemia-reperfusion injury. This statement is speculation and not supported by the data presented in this manuscript.
· Line 57: previously.
· Line 79 (Scheme 2): DFT calculations show that the major isomer of compound 2 is the E-isomer. However, the structure of 2 in Scheme 2 implies Z-configuration. Please show here the E-isomer.
· Line 89: Compound 2 was obtained as crystalline solid and purified by recrystallization from ethanol. Surprisingly, the authors do not report a single X-ray structure of the target compound. This structure would unambiguously confirm the calculated E-configuration of compound 2.
· Line 129: The structure of SP600125 should be shown for comparison. This could be done in the Supporting Information.
· Line 195: should be instead of is.
· Figure S1: Show integrals and highlight the solvent signal in the 1H NMR spectrum.
Author Response
The authors are grateful to the reviewer for valuable comments.
Line 17-18: Compound 2 (…) has perspectives to be used for (the) treatment of neuroinflammation and ischemia-reperfusion injury. This statement is speculation and not supported by the data presented in this manuscript.
The phrase has been rewritten to avoid speculation.
Line 57: previously.
Corrected.
Line 79 (Scheme 2): DFT calculations show that the major isomer of compound 2 is the E-isomer. However, the structure of 2 in Scheme 2 implies Z-configuration. Please show here the E-isomer.
The structure was modified into E-isomer.
Line 89: Compound 2 was obtained as crystalline solid and purified by recrystallization from ethanol. Surprisingly, the authors do not report a single X-ray structure of the target compound. This structure would unambiguously confirm the calculated E-configuration of compound 2.
Unfortunately, we could not obtain crystals of sufficient size for X-ray analysis.
Line 129: The structure of SP600125 should be shown for comparison. This could be done in the Supporting Information.
The structure of SP600125 was added in Supporting information.
Line 195: should be instead of is.
Corrected.
Figure S1: Show integrals and highlight the solvent signal in the 1H NMR spectrum.
Corrected.
