N-(3-(4-chloro-2-fluorobenzyl)-2-methyl-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-imine 3-(4-氯-2-氟苄基)-2-甲基-N-(5-甲基-1H-吡唑-3-基)-8-(吗啉甲基)咪唑[1,2-b]哒嗪-6-胺
CAS 1229236-86-5 MFCD329236865
化学结构图
SMILES: Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)[nH]n1
化学属性
| Mol. Weight | 469.94 |
|---|---|
| Density | 1.45 |
| Mol. Formula | C23H25ClFN7O |
| Appearance | white solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Synonym | 3-[(4-Chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine LY2784544; LY 2784544; LY-2784544; Gandotinib. |
|---|---|
| CAS Number | 1229236-86-5 |
| Chemical Name | N-(3-(4-chloro-2-fluorobenzyl)-2-methyl-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-imine |
| Formula | C23H25ClFN7O |
| IUPAC Name | 3-(4-chloro-2-fluorobenzyl)-2-methyl-N-(3-methyl-1H-pyrazol-5-yl)-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-amine |
| InChIKey | SQSZANZGUXWJEA-UHFFFAOYSA-N |
| InChI | InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30) |
| Canonical SMILES | CC1=NNC(NC2=NN3C(C(CN4CCOCC4)=C2)=NC(C)=C3CC5=CC=C(Cl)C=C5F)=C1 |
| Chemical Name Translation | 3-(4-氯-2-氟苄基)-2-甲基-N-(5-甲基-1H-吡唑-3-基)-8-(吗啉甲基)咪唑[1,2-b]哒嗪-6-胺 |
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产品应用
- Gandotinib, also known as LY2784544, is a potent and selective JAK inhibitor. LY2784544 in vitro selectivity for JAK2 was found to be equal or superior to known JAK2 inhibitors. LY2784544 effectively inhibited JAK2V617F-driven signaling and cell proliferation in Ba/F3 cells (IC50=20 and 55 nM, respectively). In vivo, LY2784544 effectively inhibited STAT5 phosphorylation in Ba/F3-JAK2V617F-GFP ascitic tumor cells (TED50=12.7 mg/kg) and significantly reduced (P<0.05) Ba/F3-JAK2V617F-GFP tumor burden in the JAK2V617F-induced MPN model (TED50=13.7 mg/kg, twice daily).
