Supporting Information The Synthesis and Bioactivity Investigation of the Individual Components of Cyclic Lipopeptide Antibiotics A-Long Cui, Xin-Xin Hu, Yan Gao, Jie Jin, Hong Yi, Xiu-Kun Wang, Tong-Ying Nie, Yang Chen, Qi-Yang He, Hui-Fang Guo, Jian-Dong Jiang, Xue-Fu You*, Zhuo-Rong Li* Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing, China 1
Contents Table S1. SQS for individual rats... 3 Figure S1. Characterization of synthetic polymyxin A 1. 3 Figure S2. Characterization of synthetic polymyxin A 2. 4 Figure S3. Characterization of synthetic polymyxin B 1...... 6 Figure S4. Characterization of synthetic polymyxin B 2. 7 Figure S5. Characterization of synthetic polymyxin B 3.....9 Figure S6. Characterization of synthetic polymyxin B 4......1 Figure S7. Characterization of synthetic polymyxin B 5...12 Figure S8. Characterization of synthetic polymyxin B 1-Ile. 13 Figure S9. Characterization of synthetic polymyxin D 1... 15 Figure S1. Characterization of synthetic polymyxin D 2. 16 Figure S11. Characterization of synthetic polymyxin E 1...18 Figure S12. Characterization of synthetic polymyxin E 2...19 Figure S13. Characterization of synthetic polymyxin E 3.21 Figure S14. Characterization of synthetic polymyxin E 4....22 Figure S15. Characterization of synthetic polymyxin E 7....24 Figure S16. Characterization of synthetic polymyxin E 1-Ile... 25 Figure S17. Characterization of synthetic polymyxin E 1-Nva....27 Figure S18. Characterization of synthetic polymyxin E 1-Val.....28 Figure S19. Characterization of synthetic polymyxin E 2-Ile... 3 Figure S2. Characterization of synthetic polymyxin E 2-Nva....31 Figure S21. Characterization of synthetic polymyxin E 2-Val.. 33 Figure S22. Characterization of synthetic polymyxin M 1...34 Figure S23. Characterization of synthetic polymyxin M 2... 36 Figure S24. Characterization of synthetic polymyxin S 1. 37 Figure S25. Characterization of synthetic polymyxin S 2. 39 Figure S26. Characterization of synthetic polymyxin T 1. 4 Figure S27. Characterization of synthetic polymyxin T 2......42 2
Table S1. SQS for individual rats (n=8) Compound SQS B 2 1, 1, 1, 1, 1, 1, 1, 1 E 2,,,, 1, 1, 1, 1 A 2 1, 1, 1, 1, 1, 1, 1, 1 M 2,,,, 1, 1, 1, 1 D 2 1, 1, 1, 1, 1, 1, 1, 1 S 2,,,, 1, 1, 1, 1 saline,,,,,,, E,,,, 1, 1, 1, 1 Figure S1. Characterization of synthetic polymyxin A 1 3
2 1.16 9.861 - - 5 1 15 2 25 Figure S2. Characterization of synthetic polymyxin A 2 4
3 9.287 2 9.5 9.996 1.813 - - 5 1 15 2 25 5
Figure S3. Characterization of synthetic polymyxin B 1 6
3 11.564 2 11.849 - - 5 1 15 2 25 Figure S4. Characterization of synthetic polymyxin B 2 7
2 1.873 11.122 - - 5 1 15 2 25 8
Figure S5. Characterization of synthetic polymyxin B 3 9
2 1.987 11.244 - - 5 1 15 2 25 Figure S6. Characterization of synthetic polymyxin B 4 1
2 1.29 9.433 1.459 - - 5 1 15 2 25 11
Figure S7. Characterization of synthetic polymyxin B 5 12
3 2 11.627 11.794 12.88 - - 5 1 15 2 25 Figure S8. Characterization of synthetic polymyxin B 1-Ile 13
2 11.298 11.564 - - 5 1 15 2 25 14
Figure S9. Characterization of synthetic polymyxin D 1 15
1.551 11.76 - - 5 1 15 2 25 Figure S1. Characterization of synthetic polymyxin D 2 16
2 9.65 9.322 11.23 - - 5 1 15 2 25 17
Figure S11. Characterization of synthetic polymyxin E 1 18
11.2 11.52 11.234 - - 5 1 15 2 25 Figure S12. Characterization of synthetic polymyxin E 2 19
1.488 - - 5 1 15 2 25 2
Figure S13. Characterization of synthetic polymyxin E 3 21
1.632 1.269 1.913 - - 5 1 15 2 25 Figure S14. Characterization of synthetic polymyxin E 4 22
9.847 2 1.3 - - - 5 1 15 2 25 23
Figure S15. Characterization of synthetic polymyxin E 7 24
11.9 11.33 - - 5 1 15 2 25 Figure S16. Characterization of synthetic polymyxin E 1-Ile 25
2 1.87 11.24 - - 5 1 15 2 25 26
Figure S17. Characterization of synthetic polymyxin E 1-Nva 27
2 1.748 11.22 11.311 - - 5 1 15 2 25 Figure S18. Characterization of synthetic polymyxin E 1-Val 28
1.528 1.787 - - 5 1 15 2 25 29
Figure S19. Characterization of synthetic polymyxin E 2-Ile 3
2 1.182 - - 5 1 15 2 25 Figure S2. Characterization of synthetic polymyxin E 2-Nva 31
2 9.941 - - 5 1 15 2 25 32
Figure S21. Characterization of synthetic polymyxin E 2-Val 33
9.696 - - 5 1 15 2 25 Figure S22. Characterization of synthetic polymyxin M 1 34
3 9.962 2 - - - 5 1 15 2 25 35
Figure S23. Characterization of synthetic polymyxin M 2 36
2 9.58 - - - 5 1 15 2 25 Figure S24. Characterization of synthetic polymyxin S 1 37
3 1.891 2 - - 5 1 15 2 25 38
Figure S25. Characterization of synthetic polymyxin S 2 39
1.9 - - 5 1 15 2 25 Figure S26. Characterization of synthetic polymyxin T 1 4
3 12.476 13.152 12.849-5 1 15 2 25 41
Figure S27. Characterization of synthetic polymyxin T 2 42
3 12.258 11.893 12.541-5 1 15 2 25 43