Supplemental information Antiproliferative and Antibacterial Activity of Some Glutarimide Derivatives
Jelena B. Popović-Djordjević 1 ● Anita S. Klaus1 ● Željko S.Žižak 2 ● Ivana Z. Matić2 ● Branko J. Drakulić 3
Jelena Popović-Djordjević
[email protected] 1
Faculty of Agriculture, University of Belgrade, Belgrade, Serbia
2
Institute of Oncology and Radiology of Serbia, Belgrade, Serbia
3
Institute of Chemistry, Technology and Metallurgy, University of Belgrade, Belgrade, Serbia
Contents NMR spectra of compounds 1-9 (Figures S1-S18).......................................................................................................................................................2 Table S1. 3D-Dependent whole-molecular properties of compounds 1-9..................................................................................................................20 Figure S19. Important variables associated with compound 7: a) Variable TIP-TIP 230; b) Variable DRY-TIP 408..............................................21 Figure S20. Important variables associated with compound 9: a) Variable TIP-TIP 233; b) Variable DRY-TIP 410; c) Variable N1-TIP 584; d) Variable N1-N1 157.....................................................................................................................................................................................................23 Figure S21. Important variables associated with compound 4: a) Variable TIP-TIP 234; b) Variable DRY-TIP 411..............................................24
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NMR spectra of compounds 1-9
Figure S1. 1H NMR of compound 1 (CDCl3, 200 MHz)
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Figure S2. 13C NMR of compound 1 (CDCl3, 50 MHz)
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Figure S3. 1H NMR of compound 2 (CDCl3, 200 MHz)
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Figure S4. 13C NMR of compound 2 (CDCl3, 50 MHz)
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Figure S5. 1H NMR of compound 3 (CDCl3, 200 MHz)
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Figure S6. 13C NMR of compound 3 (CDCl3, 50 MHz)
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Figure S7. 1H NMR of compound 4 (CDCl3, 200 MHz)
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Figure S8. 13C NMR of compound 4 (CDCl3, 50 MHz)
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Figure S9. 1H NMR of compound 5 (CDCl3, 200 MHz)
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Figure S10. 13C NMR of compound 5 (CDCl3, 50 MHz)
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Figure S11. 1H NMR of compound 6 (CDCl3, 200 MHz)
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Figure S12. 13C NMR of compound 6 (CDCl3, 50 MHz)
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Figure S13. 1H NMR of compound 7 (CDCl3, 500 MHz)
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Figure S14. 13C NMR of compound 7 (CDCl3, 125 MHz)
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Figure S15. 1H NMR of compound 8 (CDCl3, 200 MHz)
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Figure S16. 13C NMR of compound 8 (CDCl3, 50 MHz)
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Figure S17. 1H NMR of compound 9 (CDCl3, 200 MHz)
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Figure S18. 13C NMR of compound 9 (CDCl3, 50 MHz)
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Table S1. 3D-Dependent whole-molecular properties of compounds 1-9.
Compound No. SA[a] (Å2) 1 2 3 4 5 6 7 8 9
395.8 474.2 467.3 599.4 566.1 558.5 597.3 519.4 590.6
PSA[b] (Å2) 58.9 61.5 116.2 74.7 66.8 91.4 62.2 66.2 80.7
ASA[c] (Å2) 337.0 412.6 351.1 524.7 499.3 467.1 535.2 453.2 509.9
Vol[d] (Å3) 188.0 248.6 226.2 317.1 318.2 309.5 349.1 296.6 302.3
VlogP[e] 1.743 3.180 1.504 3.506 3.325 3.725 4.434 3.102 3.130
[a] SA- Surface area. [b] PSA – Polar surface area. [c] ASA – Apolar surface area. [d] Vol – Volume. [e] VlogP – Virtual logP
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a)
b)
Figure S19. Important variables associated with compound 7: a) Variable TIP-TIP 230; b) Variable DRY-TIP 408.
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a)
b)
22
c)
d)
Figure S20. Important variables associated with compound 9: a) Variable TIP-TIP 233; b) Variable DRY-TIP 410; c) Variable N1-TIP 584; d) Variable N1-N1 157.
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a)
b)
Figure S21. Important variables associated with compound 4: a) Variable TIP-TIP 234; b) Variable DRY-TIP 411.
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