2-((2-((2-Methoxy-4-Morpholinophenyl)Amino)-5-(Trifluoromethyl)Pyridin-4-Yl)Amino)-N-Methylbenzamide 2-((2-((2-甲氧基-4-吗啉苯基)氨基)-5-(三氟甲基)吡啶-4-基)氨基)-N-甲基苯甲酰胺
CAS 1061353-68-1 MFCD161353681
化学结构图
SMILES: CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F
化学属性
| Mol. Weight | 501.5 |
|---|---|
| Appearance | Off-white to grey solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name Translation | 2-((2-((2-甲氧基-4-吗啉苯基)氨基)-5-(三氟甲基)吡啶-4-基)氨基)-N-甲基苯甲酰胺 |
|---|---|
| Chemical Name | 2-((2-((2-Methoxy-4-Morpholinophenyl)Amino)-5-(Trifluoromethyl)Pyridin-4-Yl)Amino)-N-Methylbenzamide |
| Formula | C25H26F3N5O3 |
| Synonym | PND1186; PND 1186; PND1186; SR 2516; SR2516; SR2516; VS4718; VS4718; VS 4718. |
| IUPAC Name | 2-((2-((2-methoxy-4-morpholinophenyl)amino)-5-(trifluoromethyl)pyridin-4-yl)amino)-N-methylbenzamide. |
| InChIKey | IGUBBWJDMLCRIK-UHFFFAOYSA-N |
| InChI | InChI=1S/C25H26F3N5O3/c1-29-24(34)17-5-3-4-6-19(17)31-21-14-23(30-15-18(21)25(26,27)28)32-20-8-7-16(13-22(20)35-2)33-9-11-36-12-10-33/h3-8,13-15H,9-12H2,1-2H3,(H,29,34)(H2,30,31,32) |
| Canonical SMILES | O=C(NC)C1=CC=CC=C1NC2=CC(NC3=C(OC)C=C(N4CCOCC4)C=C3)=NC=C2C(F)(F)F |
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产品应用
- PND-1186, also known as SR-2156 and VS-4718, is a potent FAK inhibitor with a 50% inhibitory concentration (IC50) of 1.5 nM in vitro. PND-1186 has an IC50 of ~100 nM in breast carcinoma cells. Notably, 1.0 µM PND-1186 (>5-fold above IC50) had limited effects on cell proliferation. However, under non-adherent conditions as spheroids and as colonies in soft agar, 0.1 µM PND-1186 blocked FAK and p130Cas tyrosine phosphorylation, promoted caspase-3 activation, and triggered cell apoptosis. PND-1186 inhibited 4T1 breast carcinoma subcutaneous tumor growth correlated with elevated tumor cell apoptosis and caspase 3 activation.
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