4-(4-(3-(4-Chloro-3-(Trifluoromethyl)Phenyl)Ureido)Phenoxy)-N-(Methyl-D3)Picolinamide 4-(4-(3-(4-氯-3-(三氟甲基)苯基)脲基)苯氧基)-N-(甲基-d3)吡啶-2-甲酰胺
CAS 1130115-44-4 MFCD230115444
化学结构图
SMILES: [2H]C([2H])([2H])NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
化学属性
| Mol. Weight | 467.8475 |
|---|---|
| Mol. Formula | C21H13D3ClF3N4O3 |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| CAS Number | 1130115-44-4 |
|---|---|
| Chemical Name | 4-(4-(3-(4-Chloro-3-(Trifluoromethyl)Phenyl)Ureido)Phenoxy)-N-(Methyl-D3)Picolinamide |
| Synonym | 4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-(methyl-d3)-2-pyridinecarboxamide Donafenib; CM-4307; CM 4307; CM4307. |
| Chemical Name Translation | 4-(4-(3-(4-氯-3-(三氟甲基)苯基)脲基)苯氧基)-N-(甲基-d3)吡啶-2-甲酰胺 |
| Formula | C21H13D3ClF3N4O3 |
| IUPAC Name | 4-(4-((((4-Chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-(methyl-d3)-2-pyridinecarboxamide |
| InChIKey | MLDQJTXFUGDVEO-FIBGUPNXSA-N |
| InChI | InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)/i1D3 |
| Canonical SMILES | O=C(C1=NC=CC(OC2=CC=C(NC(NC3=CC=C(Cl)C(C(F)(F)F)=C3)=O)C=C2)=C1)NC([2H])([2H])[2H] |
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分类
- Inhibitors
- Isotope Labelled Compounds
- Pharmaceuticals
- Intermediates & Fine Chemicals,
产品应用
- Donafenib, also known as CM-4307, is an oral multikinase inhibitor that targets Raf kinase and receptor tyrosine kinases with potential anticancer acivity. Donafenib is under clinical trials in China in patients with advanced hepatocellular carcinoma (HCC).
相关文献及参考
- Richly, H., et al.: Int. J. Clin. Pharmacol. Ther., 41, 620 (2003),
- Khire, U.R., et al.: Bioorg. Med. Chem. Lett., 14, 783 (2004),
- Wilhelm, S.M., et al.: Cancer Res., 64, 7099 (2004),
