4-(4-(3-(3-(Tert-Butyl)-1-(Quinolin-6-Yl)-1H-Pyrazol-5-Yl)Ureido)-3-Fluorophenoxy)-N-Methylpicolinamide 4-(4-(3-(3-(叔丁基)-1-(喹啉-6-基)-1H-吡唑-5-基)脲基)-3-氟苯氧基)-N-甲基吡啶酰胺
CAS 1020172-07-9 MFCD120172079
化学结构图
SMILES: CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc4ncccc4c3)c(F)c2)ccn1
化学属性
| Mol. Weight | 554 |
|---|---|
| Density | 1.32 |
| Mol. Formula | C30H28FN7O3 |
| Appearance | White to off-white solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Synonym | DCC2036; DCC-2036; DCC 2036; Rebastinib. N-[3-tert-Butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]-N'-[2-fluoro-4-[(2-(methylcarbamoyl)pyridin-4-yl)oxy]phenyl]urea |
|---|---|
| CAS Number | 1020172-07-9 |
| Chemical Name | 4-(4-(3-(3-(Tert-Butyl)-1-(Quinolin-6-Yl)-1H-Pyrazol-5-Yl)Ureido)-3-Fluorophenoxy)-N-Methylpicolinamide |
| Chemical Name Translation | 4-(4-(3-(3-(叔丁基)-1-(喹啉-6-基)-1H-吡唑-5-基)脲基)-3-氟苯氧基)-N-甲基吡啶酰胺 |
| Formula | C30H28FN7O3 |
| IUPAC Name | N-[3-tert-Butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]-N'-[2-fluoro-4-[(2-(methylcarbamoyl)pyridin-4-yl)oxy]phenyl]urea |
| InChIKey | WVXNSAVVKYZVOE-UHFFFAOYSA-N |
| InChI | InChI=1S/C30H28FN7O3/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4/h5-17H,1-4H3,(H,32,39)(H2,35,36,40) |
| Canonical SMILES | O=C(NC1=CC=C(OC2=CC(C(NC)=O)=NC=C2)C=C1F)NC3=CC(C(C)(C)C)=NN3C4=CC=C5N=CC=CC5=C4 |
| MDL Number |
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产品应用
- Rebastinib, also known as DCC-2036, is an orally bioavailable small-molecule inhibitor of multiple tyrosine kinases with potential antineoplastic activity. Multitargeted tyrosine kinase inhibitor DCC-2036 binds to and inhibits the Bcr-Abl fusion oncoprotein by changing the conformation of the folded protein to disallow ligand-dependent and ligand-independent activation; in addition, this agent binds to and inhibits Src family kinases LYN, HCK and FGR and the receptor tyrosine kinases TIE-2 and VEGFR-2. Multitargeted tyrosine kinase inhibitor DCC-2036 may exhibit more potent activity against T315I Bcr-Abl gatekeeper mutant kinases than other Bcr-Abl kinase inhibitors
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