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Design, synthesis and biological evaluation of novel selective PI3Kδ inhibitors containing pyridopyrimidine scaffold

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posted on 2023-08-11, 09:03 authored by Yifan Feng, San-Qi Zhang, Mengyan Ma, Weiming Duan, Li Gao, Bo yuan, Minhang Xin

Figure S1. Molecular docking studies of compound B1 into the site of PI3Kδ (PDB code: 2wxp). The distances of the hydrogen bonds are marked in the picture in Å

Table S1. Physicochemical and drug-likeness properties of A1, A5 and A7a.

Table S2. Predicted ADME/T properties of A1, A5 and A7a.

Figure S2. 1H-NMR of compound A1. Figure S3. 13C-NMR of compound A1. Figure S4. 1H-NMR of compound A2. Figure S5. 13C-NMR of compound A2. Figure S6. 1H-NMR of compound A3. Figure S7. 13C-NMR of compound A3. Figure S8. 1H-NMR of compound A4. Figure S9. 13C-NMR of compound A4.