TABLE 4

1H and 13C NMR chemical shift assignment of dasatinib metabolite M24 produced by microbial biotransformation Graphic

Position 1H ppm (d6-DMSO, d 2.50 ppm) 13C ppm (d6-DMSO, d 39.5 ppm)
2 160.5
3 (N)
4 8.23 (s, 1H) 141.4
9 165.5
12 6.07 (s, 1H) 83.1
13 163.1
15 2.40a 26.2
17 and 21 3.50a 44.1
18 and 20 2.48a 53.1
23 131.4
24 132.6
25 7.46 (d, J = 7.75 Hz, 1H) 127.8
26 7.37 (t, J = 7.75 Hz, 1H) 128.3
27 7.53 (d, J = 7.75 Hz, 1H) 125.7
28 143.7
29 2.41a 60.7
30 3.53a 59.0
33 4.48 (s, 1H) 59.8
  • a No integration or coupling constant data are available because of peak overlap.