supplementary data cancer molecules design and synthesis ... · 1 supplementary data design and...
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Supplementary DataDesign and Synthesis of 1,2,3-Triazole-Etodolac hybrids as potent anti-
cancer moleculesBhaskar Kummari,a Naveen Polkam,a Perla Ramesh,b Hasithashilpa Anantaraju,c Perumal Yogeeswari,c Jaya shree Anireddy,*a Sravanthi Devi Guggilapud and Bathini Nagendra Babud
aCentre for Chemical Sciences and Technology, Institute of Science and Technology, Jawaharlal Nehru Technological University Hyderabad, Kukatpally, Hyderabad-500085, T.S., India.bNatural Products Chemistry Division, Indian Institute of Chemical Technology, Uppal Road, Hyderabad-500007, India.cDepartment of pharmacy, Birla institute of Technology and Science, Pilani, Hyderabad campus, Jawahar nagar-500078, T.S., India.dDepartment of Medicinal Chemistry, National Institute of Pharmaceutical Education Research (NIPER), Hyderabad, T.S., India.
Contents:
1. 1H and 13C NMR Spectera of compound 6a Page 2
2. 1H and 13C NMR Spectera of compound 6b Page 3
3. 1H and 13C NMR Spectera of compound 6c Page 4
4. 1H and 13C NMR Spectera of compound 6d Page 5
5. 1H and 13C NMR Spectera of compound 6e Page 6
6. 1H and 13C NMR Spectera of compound 6f Page 7
7. 1H and 13C NMR Spectera of compound 6g Page 8
8. 1H and 13C NMR Spectera of compound 6h Page 9
9. 1H and 13C NMR Spectera of compound 6i Page 10
10. 1H and 13C NMR Spectera of compound 6j Page 11
11. 1H and 13C NMR Spectera of compound 6k Page 12
12. 1H and 13C NMR Spectera of compound 6l Page 13
13. HRMS data of compounds 6a-l Page 14-25
14. HPLC analysis of compounds 6e, 6f, 6h, 6j and 6l Page 26-30
Electronic Supplementary Material (ESI) for RSC Advances.This journal is © The Royal Society of Chemistry 2017
2
1H and 13C NMR Spectra of compound 6a
NH
O NNN
O
NH
O NNN
O
3
1H and 13C NMR Spectra of compound 6b
NH
O NNN
O
NH
O NNN
O
4
1H and 13C NMR Spectra of compound 6c
NH
O NNN
ONO2
Br Br
NH
O NNN
ONO2
Br Br
5
1H and 13C NMR Spectra of compound 6d
NH
O NNN
O
NH
O NNN
O
6
1H and 13C NMR Spectra of compound 6e
NH
O NNN
O
Br
NH
O NNN
O
Br
7
1H and 13C NMR Spectra of compound 6f
NH
O NNN
O
NH
O NNN
O
8
1H and 13C NMR Spectra of compound 6g
NH
O NNN
O
NH
O NNN
O
9
1H and 13C NMR Spectra of compound 6h
NH
O NNN
O
NH
O NNN
O
10
1H and 13C NMR Spectra of compound 6i
NH
O NNN
O
NH
O NNN
O
11
1H and 13C NMR Spectra of compound 6j
NH
O NNN
O
I
NH
O NNN
O
I
12
1H and 13C NMR Spectra of compound 6k
NH
O NNN
OO
O
H
NH
O NNN
OO
O
H
13
1H and 13C NMR Spectra of compound 6l
NH
O NNN
O
O
H
NH
O NNN
O
O
H
14
HRMS data of compounds 6a-l:
NH
O NNN
O
6a
15
NH
O NNN
O
6b
16
NH
O NNN
OBr
O2N Br6c
17
NH
O NNN
O
6d
18
NH
O NNN
O
Br6e
19
NH
O NNN
O
6f
20
NH
O NNN
O
6g
21
NH
O NNN
O
6h
22
NH
O NNN
O
6i
23
NH
O NNN
O
I6j
24
NH
O NNN
OO
H
O6k
25
NH
O NNN
O
H
O
6l
26
HPLC analysis of compounds 6e, 6f, 6h, 6j and 6l:
NH
O NNN
O
Br6e
27
NH
O NNN
O
6f
28
NH
O NNN
O
6h
29
NH
O NNN
O
I6j
30
NH
O NNN
O
H
O
6l