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AP 24534
- Ponatinib
- Soluble in DMSO
- MF: C29H27F3N6O
- MW: 532.56
Description
More Information
| Parent CAS No. | 943319-70-8 |
|---|---|
| Chemical Name | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide |
| SMILES | C1=CC2=NC=C(C#CC3C=C(C(NC4C=C(C(F)(F)F)C(CN5CCN(C)CC5)=CC=4)=O)C=CC=3C)N2N=C1 |
| MFCD | MFCD17215203 |
| InChi | InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39) |
| InChiKey | PHXJVRSECIGDHY-UHFFFAOYSA-N |
| CID | 24826799 |
| Short Description | Bcr-Abl inhibitor |
References
- T O'Hare et al. AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance. Cancer Cell. 2009, 16(5), 401-412.
- WS Huang et al. Discovery of 3-[2-(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide (AP24534), a potent, orally active pan-inhibitor of (...). J. Med. Chem. 2010, 53(12), 4701-4719.
- T Zhou et al. Structural mechanism of the Pan-BCR-ABL inhibitor ponatinib (AP24534): lessons for overcoming kinase inhibitor resistance. Chem. Biol. Drug Des. 2011, 77(1), 1-11.
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