Additional file 1 of Synthesis, anticancer evaluation, molecular docking and ADME study of novel pyrido[4ʹ,3ʹ:3,4]pyrazolo[1,5-a]pyrimidines as potential tropomyosin receptor kinase A (TrKA) inhibitors
Creators: name: Metwally, Nadia Hanafy
name: Deeb, Emad Abdullah
name: Hasani, Ibrahim Walid
Publisher: name: figshare
Year: 2024
Subjects: subject: Biochemistry
subject: Cell Biology
subject: Pharmacology
subject: Chemical Sciences not elsewhere classified
subject: Cancer
subject: Infectious Diseases
subject: FOS: Health sciences

description: Additional file 1: Figure S1. Mass spectrum of compound 2. Figure S2. IR spectrum of compound 2. Figure S3. 1H NMR spectrum of compound 2. Figure S4. Mass spectrum of compound 4a. Figure S5. IR spectrum of compound 4a. Figure S6. 1H NMR spectrum of compound 4a. Figure S7. 13C NMR spectrum of compound 4a. Figure S8. Mass spectrum of compound 4b. Figure S9. 1H NMR spectrum of compound 4b. Figure S10. 1H NMR spectrum of compound 7a. Figure S11. 13C NMR spectrum of compound 7a. Figure S12. 1H NMR spectrum of compound 7b. Figure S13. 1H NMR spectrum of compound 7f. Figure S14. 13C NMR spectrum of compound 7f. Figure S15. IR spectrum of compound 7g. Figure S16. 1H NMR spectrum of compound 7g. Figure S17. 1H NMR spectrum of compound 7h. Figure S18. IR spectrum of compound 7i. Figure S19. 1HNMR spectrum of compound 7i. Figure S20. IR spectrum of compound 7j. Figure S21. 1H NMR spectrum of compound 7k. Figure S22. 13C NMR spectrum of compound 7k. Figure S23. 1HNMR spectrum of compound 7m. Figure S24. IR spectrum of compound 7n. Figure S25. 1HNMR spectrum of compound 7n. Figure S26. IR spectrum of compound 7o. Figure S27. 1HNMR spectrum of compound 7o. Figure S28. IR spectrum of compound 7p. Figure S29. 1HNMR spectrum of compound 7p. Figure S30. 13C NMR spectrum of compound 7q. Figure S31. 1H NMR spectrum of compound 7r. Figure S32. 1H NMR spectrum of compound 7s. Figure S33. 1H NMR spectrum of compound 7t. Figure S34. IR spectrum of compound 9a. Figure S35. IR spectrum of compound 9b. Figure S36. Mass spectrum of compound 9b. Figure S37. MS spectrum of compound 9c. Figure S38. IR spectrum of compound 9d. Figure S39. IR spectrum of compound 11a. Figure S40. 1H NMR spectrum of compound 11a. Figure S41. 1H NMR spectrum of compound 11b. Figure S42. 1H NMR spectrum of compound 11c. Figure S43. Mass spectrum of compound 11d. Figure S44. Mass spectrum of compound 14a. Figure S45. IR spectrum of compound 14a. Figure S46. Mass spectrum of compound 14b. Figure S47. IR spectrum of compound 14b. Figure S48. 1H NMR spectrum of compound 14b. Figure S49. 1H NMR spectrum of compound 14b (D2O). Figure S50. 13C NMR spectrum of compound 15a. Figure S51. 1H NMR spectrum of compound 15b. Figure S52. IR spectrum of compound 15c. Figure S53. 1H NMR spectrum of compound 15c. Figure S54. 13C NMR spectrum of compound 15e. Figure S55. 1H NMR spectrum of compound 15f. Figure S56. MS spectrum of compound 16a. Figure S57. IR spectrum of compound 16b. Figure S58. 1H NMR spectrum of compound 16b. Figure S59. MS spectrum of compound 16c. Figure S60. IR spectrum of compound 16d. Figure S61. 1H NMR spectrum of compound 16d. Figure S62. IR spectrum of compound 16f. Figure S63. 13C NMR spectrum of compound 16g. Biological methods for MTT assay, Tropomyosm receptor kinase A inhibitory assay and Annexin-VFITC apoptosis assay were discussed in details in ESI.