Dataset of NMR-spectra pyrrolyl- and indolylazines and evidence of their ability to induce heat shock genes expression in human neurons

These data are related to our previous paper “Synthesis and approbation of new neuroprotective chemicals of pyrrolyl- and indolylazine classes in a cell model of Alzheimer's disease” (Dutysheva et al., 2021), in which we demonstrate neuroprotective abilities of pyrrolyl- and indolylazines in a cell model of Alzheimer's disease. Using a novel procedure of photocatalysis we have synthesized a group of new compounds. The current article presents nuclear magnetic resonance spectra including heteronuclear single quantum coherence spectra of chemicals synthesized by us. The effect of new compounds have on heat shock proteins genes expression in reprogrammed human neurons are presented. We also presented data that verify neuronal phenotype of reprogrammed cells.


a b s t r a c t
These data are related to our previous paper "Synthesis and approbation of new neuroprotective chemicals of pyrrolyland indolylazine classes in a cell model of Alzheimer's disease" (Dutysheva et al., 2021), in which we demonstrate neuroprotective abilities of pyrrolyl-and indolylazines in a cell model of Alzheimer's disease. Using a novel procedure of photocatalysis we have synthesized a group of new compounds. The current article presents nuclear magnetic resonance spectra including heteronuclear single quantum coherence spectra of chemicals synthesized by us. The effect of new compounds have on heat shock proteins genes expression in reprogrammed human neurons are presented. We also presented data that verify neuronal phenotype of reprogrammed cells.

Value of the Data
• The current paper illustrates the nuclear magnetic resonance spectra of newly synthesised chemical compounds of pyrrolyl-and indolyl classes. • The data presented in this article may be beneficial to the search for new azolylazines and their synthesis for application in the field of neuroprotection. • A possible application of the presented data lies in the use for prediction of biological activity spectra for substances

Data Description
Compounds from the pyrrolyl and indolylazine classes have demonstrated their therapeutic potential more than once. Previously, for compounds from these classes it was demonstrated antineoplastic ( THZ531 [1] , Variolin B [2] ), antianginal ( BDBM92080 [3] ), cytotoxic ( Meriolin 2 [4] , Hyrtinadine A [5] ), and antiasthmatic ( US9999619 [6] ) activities, as well as including αadrenoceptor blocking agents ( Nicergoline [7] ) and potent inhibitors of serine-threonine protein phosphatases. This work presents the data of nuclear magnetic resonance (NMR) analysis of the pyrrolyl-and indolylazines synthesized by us, which previously demonstrated neuroprotective potential in the cellular model of Alzheimer's disease [8] and in the model of traumatic brain injury [9] .   As we have shown earlier, the neuroprotective effect of the compounds can develop through the induction of the chaperone proteins synthesis. To verify this process, we checked the expression level of HSPA1A and HSP90AA genes in the culture of reprogrammed human neurons.
The level of expression of neuronal markers MAP-2 and β-3-tubulin after differentiation of mesenchymal stem cells from human dental pulp is shown in Fig. 19 . Fig. 20 shows data of real-time polymerase chain reaction (RT-PCR) demonstrating the effect of pyrrolyl and indolylazines on the expression of the Hsp70 and Hsp90 protein genes. The row results of RT-PCR are presented as a supplemental material.

Experimental Design, Materials and Methods
1 H NMR (400 MHz) and 13 C NMR (100 MHz) spectra were recorded on a Bruker Avance II, using SiMe 4 as internal reference in DMSO-d 6 and CDCl 3 . Chemical shifts (d) are reported in parts per millions (ppm) and spin multiplicities are given as singlet (s), doublet (d), triplet (t), or multiplet (m). Coupling constants ( J ) are reported in Hz. The mass spectra were recorded on a mass spectrometer SHIMADZU GCMS-QP2010 Ultra with sample ionization by electron impact (EI).
RNA from cells was isolated using ExtractRNA reagent (Evrogen JSC, Russia) and converted to DNA using a MMLV RT kit (Evrogen JSC, Russia) according to the manufacturer's protocol.
All RT-PCR reactions were performed with a CFX96 Real-Time PCR detection system (BioRad, USA) using qPCRmix-HS SYBR (Evrogen JSC, Russia) according to the manufacturer's protocol. Melt curve analysis was employed to prove amplicon accuracy. The data were analyzed for foldchange using Bio-Rad CFX software. The sequence of primers was as follows: GAPDH was used as the normalization control. All primers were obtained from Evrogen JSC (Russia). The parameters of the PCR were 5 min of pre-denaturation at 95 °C, followed by 40 cycles of 30 s at 95 °C, 30 s at 65 °C, and 30 s at 70 °C. The data were analyzed for fold change ( Ct) using BioRad CFX software (version 3.1).

Declaration of Competing Interest
The authors declare that they have no known competing financial interests or personal relationships which have or could be perceived to have influenced the work reported in this article.

Ethics Statement
Informed consent was obtained from all subjects involved in the study. Protocol of Ethical committee F18-00380 (approved on 12 October 2017).

Supplementary Materials
Supplementary material associated with this article can be found in the online version at doi: 10.1016/j.dib.2021.107562 .